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300815-04-7,MFCD00525727
Catalog No.:AA00BJTQ

300815-04-7 | Apcin

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
≥98%
in stock  
$53.00   $37.00
- +
5mg
≥98%
in stock  
$182.00   $127.00
- +
10mg
≥98%
in stock  
$255.00   $178.00
- +
25mg
≥98%
in stock  
$568.00   $397.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00BJTQ
Chemical Name:
Apcin
CAS Number:
300815-04-7
Molecular Formula:
C13H14Cl3N7O4
Molecular Weight:
438.6538
MDL Number:
MFCD00525727
SMILES:
O=C(NC(C(Cl)(Cl)Cl)Nc1ncccn1)OCCn1c(C)ncc1[N+](=O)[O-]
Properties
Computed Properties
 
Complexity:
513  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
7  
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3  

Downstream Synthesis Route
C13H12N4O7 
  300815-04-7 

[1]Huang,Pan;Le,Xiangyang;Huang,Fei;Yang,Jie;Yang,Haofeng;Ma,Junlong;Hu,Gaoyun;Li,Qianbin;Chen,Zhuo[JournalofMedicinalChemistry,2020,vol.63,#9,p.4685-4700]

[1]Huang,Pan;Le,Xiangyang;Huang,Fei;Yang,Jie;Yang,Haofeng;Ma,Junlong;Hu,Gaoyun;Li,Qianbin;Chen,Zhuo[JournalofMedicinalChemistry,2020,vol.63,#9,p.4685-4700]

176799-58-9   
C9H10Cl4N4O4 
  300815-04-7 

[1]Huang,Pan;Le,Xiangyang;Huang,Fei;Yang,Jie;Yang,Haofeng;Ma,Junlong;Hu,Gaoyun;Li,Qianbin;Chen,Zhuo[JournalofMedicinalChemistry,2020,vol.63,#9,p.4685-4700]

2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl(2,2,2-trichloro-1-hydroxyethyl)carbamate 
  300815-04-7 

[1]Huang,Pan;Le,Xiangyang;Huang,Fei;Yang,Jie;Yang,Haofeng;Ma,Junlong;Hu,Gaoyun;Li,Qianbin;Chen,Zhuo[JournalofMedicinalChemistry,2020,vol.63,#9,p.4685-4700]

[1]Huang,Pan;Le,Xiangyang;Huang,Fei;Yang,Jie;Yang,Haofeng;Ma,Junlong;Hu,Gaoyun;Li,Qianbin;Chen,Zhuo[JournalofMedicinalChemistry,2020,vol.63,#9,p.4685-4700]

Literature
Quotation Request
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SDS
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Tags:300815-04-7 Molecular Formula|300815-04-7 MDL|300815-04-7 SMILES|300815-04-7 Apcin
Catalog No.: AA00BJTQ
300815-04-7,MFCD00525727
300815-04-7 | Apcin
Pack Size： 1mg
Purity： ≥98%
in stock
$53.00 $37.00
Pack Size： 5mg
Purity： ≥98%
in stock
$182.00 $127.00
Pack Size： 10mg
Purity： ≥98%
in stock
$255.00 $178.00
Pack Size： 25mg
Purity： ≥98%
in stock
$568.00 $397.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00BJTQ
Chemical Name: Apcin
CAS Number: 300815-04-7
Molecular Formula: C13H14Cl3N7O4
Molecular Weight: 438.6538
MDL Number: MFCD00525727
SMILES: O=C(NC(C(Cl)(Cl)Cl)Nc1ncccn1)OCCn1c(C)ncc1[N+](=O)[O-]
Properties
Complexity: 513  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 27  
Hydrogen Bond Acceptor Count: 8  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 7  
Undefined Atom Stereocenter Count: 1  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3  
Downstream Synthesis Route
C13H12N4O7 
  300815-04-7 

[1]Huang,Pan;Le,Xiangyang;Huang,Fei;Yang,Jie;Yang,Haofeng;Ma,Junlong;Hu,Gaoyun;Li,Qianbin;Chen,Zhuo[JournalofMedicinalChemistry,2020,vol.63,#9,p.4685-4700]

443-48-1    300815-04-7 

[1]Huang,Pan;Le,Xiangyang;Huang,Fei;Yang,Jie;Yang,Haofeng;Ma,Junlong;Hu,Gaoyun;Li,Qianbin;Chen,Zhuo[JournalofMedicinalChemistry,2020,vol.63,#9,p.4685-4700]

176799-58-9   
C9H10Cl4N4O4 
  300815-04-7 

[1]Huang,Pan;Le,Xiangyang;Huang,Fei;Yang,Jie;Yang,Haofeng;Ma,Junlong;Hu,Gaoyun;Li,Qianbin;Chen,Zhuo[JournalofMedicinalChemistry,2020,vol.63,#9,p.4685-4700]

2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl(2,2,2-trichloro-1-hydroxyethyl)carbamate 
  300815-04-7 

[1]Huang,Pan;Le,Xiangyang;Huang,Fei;Yang,Jie;Yang,Haofeng;Ma,Junlong;Hu,Gaoyun;Li,Qianbin;Chen,Zhuo[JournalofMedicinalChemistry,2020,vol.63,#9,p.4685-4700]

31478-45-2    300815-04-7 

[1]Huang,Pan;Le,Xiangyang;Huang,Fei;Yang,Jie;Yang,Haofeng;Ma,Junlong;Hu,Gaoyun;Li,Qianbin;Chen,Zhuo[JournalofMedicinalChemistry,2020,vol.63,#9,p.4685-4700]

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