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879085-55-9,MFCD12407408
Catalog No.:AA003V92

879085-55-9 | 2-chloro-N-[4-chloro-3-(pyridin-2-yl)phenyl]-4-methanesulfonylbenzamide

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
98%
in stock  
$7.00   $5.00
- +
10mg
98%
in stock  
$19.00   $13.00
- +
250mg
98%
in stock  
$69.00   $48.00
- +
1g
98%
in stock  
$245.00   $171.00
- +
5g
97%
in stock  
$866.00   $607.00
- +
10g
98%
in stock  
$1,640.00   $1,148.00
- +
25g
98%
in stock  
$3,270.00   $2,289.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003V92
Chemical Name:
2-chloro-N-[4-chloro-3-(pyridin-2-yl)phenyl]-4-methanesulfonylbenzamide
CAS Number:
879085-55-9
Molecular Formula:
C19H14Cl2N2O3S
Molecular Weight:
421.2971
MDL Number:
MFCD12407408
SMILES:
O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl
Properties
Properties
 
BP:
561.6°C at 760 mmHg  
Form:
Solid  
MP:
179-181°C  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
625  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
XLogP3:
3.8  

Downstream Synthesis Route
4253-79-6   
vismodegib 

[1]ChemicalPapers,2014,vol.68,p.1408-1414

[2]JournaloftheAmericanChemicalSociety,2016,vol.138,p.8470-8475

[3]Patent:CN103910672,2016,B

[4]Patent:CN103910672,2016,B

[5]JournalofOrganicChemistry,2017,vol.82,p.8716-8724

879088-40-1   
vismodegib 

[1]ChemicalPapers,2014,vol.68,p.1408-1414

[2]JournaloftheAmericanChemicalSociety,2016,vol.138,p.8470-8475

[3]Patent:CN103910671,2016,B

[4]Patent:CN103910671,2016,B

[5]OrganicProcessResearchandDevelopment,2016,vol.20,p.1509-1519

[6]OrganicProcessResearchandDevelopment,2016,vol.20,p.1509-1519

[7]JournalofOrganicChemistry,2017,vol.82,p.8716-8724

[8]Patent:CN106866507,2017,A

[9]Patent:US2018/273477,2018,A1

[10]AngewandteChemie-InternationalEdition,2019,vol.58,p.13499-13506    Angew.Chem.,2019,vol.131,p.13633-13640,8

879088-41-2    106904-10-3   
vismodegib 

[1]CurrentPatentAssignee:TIANJINUNIVERSITY-CN104926714,2017,BLocationinpatent:Paragraph0041-0043

[2]CurrentPatentAssignee:NANJINGTIANYUEXINGBIOTECH-CN109456255,2019,ALocationinpatent:Paragraph0037;0038;0039;0040

[3]CurrentPatentAssignee:XINFAPHARMACEUTICALCOLTD-CN111056994,2020,ALocationinpatent:Paragraph0083-0084;0093-0094

[4]CurrentPatentAssignee:XINFAPHARMACEUTICALCOLTD-CN107200708,2017,ALocationinpatent:Paragraph0089;0090;0091;0092;0093

[5]CurrentPatentAssignee:SINOBIOPHARMACEUTICALLIMITED;SOUTHEASTPHARMACEUTICALSCOLTD-CN103910671,2016,BLocationinpatent:Paragraph0133;0134;0135

[6]CurrentPatentAssignee:SOUTHEASTPHARMACEUTICALSCOLTD;SINOBIOPHARMACEUTICALLIMITED-CN103910672,2016,BLocationinpatent:Paragraph0183-0185;0191-0193

[7]Cao,Meng;Hu,Hua-You;Zhao,Hu-Cheng;Zhang,Xi-Quan;Gu,Hong-Mei;Yang,Ling;Cai,Jin;Wang,Peng;Hu,Bing;Ji,Min[ChemicalPapers,2014,vol.68,#10,p.1408-1414]

[8]CurrentPatentAssignee:AZADPHARMAAG-US2018/273477,2018,A1Locationinpatent:Paragraph0031;0045;0046;0047;0051

[9]Yu,Qingzhen;Hu,Le'An;Wang,Yue;Zheng,Shasha;Huang,Jianhui[AngewandteChemie-InternationalEdition,2015,vol.54,#50,p.15284-15288][Angew.Chem.,2015,vol.127,#50,p.15499-15503,5]

[10]Angelaud,Remy;Reynolds,Mark;Venkatramani,Cadapakam;Savage,Scott;Trafelet,Huldreich;Landmesser,Thomas;Demel,Peter;Levis,Michael;Ruha,Olivier;Rueckert,Baerbel;Jaeggi,Heinz[OrganicProcessResearchandDevelopment,2016,vol.20,#8,p.1509-1519]

[1]Cao,Meng;Hu,Hua-You;Zhao,Hu-Cheng;Zhang,Xi-Quan;Gu,Hong-Mei;Yang,Ling;Cai,Jin;Wang,Peng;Hu,Bing;Ji,Min[ChemicalPapers,2014,vol.68,#10,p.1408-1414]

[2]CurrentPatentAssignee:SINOBIOPHARMACEUTICALLIMITED;SOUTHEASTPHARMACEUTICALSCOLTD-CN103910671,2016,B

[3]CurrentPatentAssignee:SINOBIOPHARMACEUTICALLIMITED;SOUTHEASTPHARMACEUTICALSCOLTD-CN103910671,2016,B

[4]CurrentPatentAssignee:SINOBIOPHARMACEUTICALLIMITED;SOUTHEASTPHARMACEUTICALSCOLTD-CN103910671,2016,B

[5]CurrentPatentAssignee:SINOBIOPHARMACEUTICALLIMITED;SOUTHEASTPHARMACEUTICALSCOLTD-CN103910671,2016,B

[6]CurrentPatentAssignee:SOUTHEASTPHARMACEUTICALSCOLTD;SINOBIOPHARMACEUTICALLIMITED-CN103910672,2016,B

[7]CurrentPatentAssignee:SOUTHEASTPHARMACEUTICALSCOLTD;SINOBIOPHARMACEUTICALLIMITED-CN103910672,2016,B

[8]CurrentPatentAssignee:AZADPHARMAAG-US2018/273477,2018,A1

[1]Cao,Meng;Hu,Hua-You;Zhao,Hu-Cheng;Zhang,Xi-Quan;Gu,Hong-Mei;Yang,Ling;Cai,Jin;Wang,Peng;Hu,Bing;Ji,Min[ChemicalPapers,2014,vol.68,#10,p.1408-1414]

[2]CurrentPatentAssignee:SOUTHEASTPHARMACEUTICALSCOLTD;SINOBIOPHARMACEUTICALLIMITED-CN103910672,2016,B

[3]CurrentPatentAssignee:SOUTHEASTPHARMACEUTICALSCOLTD;SINOBIOPHARMACEUTICALLIMITED-CN103910672,2016,B

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Tags:879085-55-9 Molecular Formula|879085-55-9 MDL|879085-55-9 SMILES|879085-55-9 2-chloro-N-[4-chloro-3-(pyridin-2-yl)phenyl]-4-methanesulfonylbenzamide