C13H12N6O2S
TL;DR: C13H12N6O2S (CAS 72121-80-3) is a chemical compound with molecular formula C13H12N6O2S and molecular weight 316.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-cyano-5-[(4,6-diamino-2-pyridinyl)diazenyl]-3-methylthiophene-2-carboxylate
Also Known As: 2-Thiophenecarboxylic acid, 4-cyano-5-[(4,6-diamino-2-pyridinyl)azo]-3-methyl-, methyl ester, 2-((2,4-Diaminopyridin-6-yl)azo)-3-cyano-4-methyl-5-(methoxycarbonyl)thiophene, 2-Thiophenecarboxylic acid, 4-cyano-5-((4,6-diamino-2-pyridinyl)azo)-3-methyl-, methyl ester, 2-Thiophenecarboxylic acid, 4-cyano-5-(2-(4,6-diamino-2-pyridinyl)diazenyl)-3-methyl-, methyl ester
| Molecular Formula | C13H12N6O2S |
|---|---|
| Molecular Weight | 316.07 g/mol |
| LogP | 2.6896 |
| Topological Polar Surface Area | 139.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.07425 |
| Heavy Atoms | 22 |
| Complexity | 785.34216 |
Chemical Identifiers
| CAS Number | 72121-80-3 |
|---|---|
| SMILES | CC1=C(SC(=C1C#N)N=NC2=CC(=CC(=N2)N)N)C(=O)OC |
Product Overview
C13H12N6O2S (CAS 72121-80-3), with molecular formula C13H12N6O2S and molecular weight 316.07 g/mol. IUPAC: methyl 4-cyano-5-[(4,6-diamino-2-pyridinyl)diazenyl]-3-methylthiophene-2-carboxylate.
Chemical Property Profile of C13H12N6O2S
Property Insights of C13H12N6O2S
The XLogP value of 2.6896 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C13H12N6O2S. The TPSA of 139.74 Ų falls within the moderate polarity range, balancing permeability and solubility for C13H12N6O2S. Following Lipinski's Rule of Five, C13H12N6O2S has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C13H12N6O2S?
The CAS number of C13H12N6O2S is 72121-80-3.
What is the molecular formula of C13H12N6O2S?
The molecular formula of C13H12N6O2S is C13H12N6O2S.
What is the molecular weight of C13H12N6O2S?
The molecular weight of C13H12N6O2S is 316.07 g/mol.
Where can I buy C13H12N6O2S?
You can request a quote for C13H12N6O2S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C13H12N6O2S?
Yes, KEHONG BIO provides custom synthesis services for C13H12N6O2S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.