AB00726896-01
TL;DR: AB00726896-01 (CAS 784168-78-1) is a chemical compound with molecular formula C16H12N4O5S and molecular weight 372.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2-cyano-4-nitroanilino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
Also Known As: AB00726896-01, [(2-cyano-4-nitrophenyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate, [2-(2-cyano-4-nitroanilino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
| Molecular Formula | C16H12N4O5S |
|---|---|
| Molecular Weight | 372.05 g/mol |
| LogP | 2.37888 |
| Topological Polar Surface Area | 135.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 372.05283 |
| Heavy Atoms | 26 |
| Complexity | 909.75336 |
Chemical Identifiers
| CAS Number | 784168-78-1 |
|---|---|
| SMILES | CSC1=C(C=CC=N1)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N |
Product Overview
AB00726896-01 (CAS 784168-78-1), with molecular formula C16H12N4O5S and molecular weight 372.05 g/mol. IUPAC: [2-(2-cyano-4-nitroanilino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate.
Chemical Property Profile of AB00726896-01
Property Insights of AB00726896-01
The XLogP value of 2.37888 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00726896-01. The TPSA of 135.22 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00726896-01. Following Lipinski's Rule of Five, AB00726896-01 has 1 hydrogen bond donor(s) and 8 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 AB00726896-01?
The CAS number of AB00726896-01 is 784168-78-1.
What is the molecular formula of AB00726896-01?
The molecular formula of AB00726896-01 is C16H12N4O5S.
What is the molecular weight of AB00726896-01?
The molecular weight of AB00726896-01 is 372.05 g/mol.
Where can I buy AB00726896-01?
You can request a quote for AB00726896-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00726896-01?
Yes, KEHONG BIO provides custom synthesis services for AB00726896-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.