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1266975-27-2,MFCD22124911
Catalog No.:AA000T1J

1266975-27-2 | (R)-5-Chloro-2-(5-methyl-1,4-diazepan-1-yl)benzo[d]oxazole

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$296.00   $207.00
- +
1g
95%
in stock  
$2,166.00   $1,517.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA000T1J
Chemical Name:
(R)-5-Chloro-2-(5-methyl-1,4-diazepan-1-yl)benzo[d]oxazole
CAS Number:
1266975-27-2
Molecular Formula:
C13H16ClN3O
Molecular Weight:
265.7386
MDL Number:
MFCD22124911
SMILES:
C[C@H]1NCCN(CC1)c1oc2c(n1)cc(cc2)Cl
Properties
Computed Properties
 
Complexity:
291  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.4  

Downstream Synthesis Route

[1]Strotman,NeilA.;Baxter,CarlA.;Brands,KarelM.J.;Cleator,Ed;Krska,ShaneW.;Reamer,RobertA.;Wallace,DebraJ.;Wright,TimothyJ.[JournaloftheAmericanChemicalSociety,2011,vol.133,#21,p.8362-8371]

[1]Patent:CN106916149,2017,A.Locationinpatent:Paragraph0018;0019;0020;0021;0022;0023;0024-0045

[2]Patent:US2019/40052,2019,A1.Locationinpatent:Paragraph0087-0091

[3]Patent:WO2012/148553,2012,A1.Locationinpatent:Page/Pagecolumn49-50

[4]EuropeanJournalofOrganicChemistry,2018,vol.2018,p.723-729

[1]Patent:WO2012/148553,2012,A1

[1]CurrentPatentAssignee:MERCK&COINC-WO2012/148553,2012,A1Locationinpatent:Page/Pagecolumn47-48

[2]CurrentPatentAssignee:HUNANHUATENGPHARMACY-CN113929673,2022,A

Literature
Quotation Request
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SDS
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Tags:1266975-27-2 Molecular Formula|1266975-27-2 MDL|1266975-27-2 SMILES|1266975-27-2 (R)-5-Chloro-2-(5-methyl-1,4-diazepan-1-yl)benzo[d]oxazole
Catalog No.: AA000T1J
1266975-27-2,MFCD22124911
1266975-27-2 | (R)-5-Chloro-2-(5-methyl-1,4-diazepan-1-yl)benzo[d]oxazole
Pack Size： 100mg
Purity： 95%
in stock
$296.00 $207.00
Pack Size： 1g
Purity： 95%
in stock
$2,166.00 $1,517.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA000T1J
Chemical Name: (R)-5-Chloro-2-(5-methyl-1,4-diazepan-1-yl)benzo[d]oxazole
CAS Number: 1266975-27-2
Molecular Formula: C13H16ClN3O
Molecular Weight: 265.7386
MDL Number: MFCD22124911
SMILES: C[C@H]1NCCN(CC1)c1oc2c(n1)cc(cc2)Cl
Properties
Complexity: 291  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 1  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 18  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.4  
Downstream Synthesis Route
1276666-12-6    1276666-15-9    1266975-27-2 

[1]Strotman,NeilA.;Baxter,CarlA.;Brands,KarelM.J.;Cleator,Ed;Krska,ShaneW.;Reamer,RobertA.;Wallace,DebraJ.;Wright,TimothyJ.[JournaloftheAmericanChemicalSociety,2011,vol.133,#21,p.8362-8371]

956317-36-5    1266975-27-2    1030377-33-3 

[1]Patent:CN106916149,2017,A.Locationinpatent:Paragraph0018;0019;0020;0021;0022;0023;0024-0045

[2]Patent:US2019/40052,2019,A1.Locationinpatent:Paragraph0087-0091

[3]Patent:WO2012/148553,2012,A1.Locationinpatent:Page/Pagecolumn49-50

[4]EuropeanJournalofOrganicChemistry,2018,vol.2018,p.723-729

22876-19-3    1266975-27-2 

[1]Patent:WO2012/148553,2012,A1

1276666-10-4    1266975-27-2 

[1]CurrentPatentAssignee:MERCK&COINC-WO2012/148553,2012,A1Locationinpatent:Page/Pagecolumn47-48

[2]CurrentPatentAssignee:HUNANHUATENGPHARMACY-CN113929673,2022,A

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