A1352/0061076
TL;DR: A1352/0061076 (CAS 97651-28-0) is a chemical compound with molecular formula C16H13ClN2O2S and molecular weight 332.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-sulfanylidene-1H-pyridine-3-carboxylate
Also Known As: A1352/0061076, Ethyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-sulfanylidene-1,6-dihydropyridine-3-carboxylate, ethyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-thioxo-1,6-dihydropyridine-3-carboxylate, Ethyl 4-(4-chlorophenyl)-5-cyano-6-mercapto-2-methylnicotinate, ethyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-sulfanyl-pyridine-3-carboxylate
| Molecular Formula | C16H13ClN2O2S |
|---|---|
| Molecular Weight | 332.04 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 94.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 332.03864 |
| Heavy Atoms | 22 |
| Complexity | 607.0 |
Chemical Identifiers
| CAS Number | 97651-28-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=S)C(=C1C2=CC=C(C=C2)Cl)C#N)C |
| InChIKey | NPAWEFBSTWSMNE-UHFFFAOYSA-N |
Product Overview
A1352/0061076 (CAS 97651-28-0), with molecular formula C16H13ClN2O2S and molecular weight 332.04 g/mol. IUPAC: ethyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-sulfanylidene-1H-pyridine-3-carboxylate.
Chemical Property Profile of A1352/0061076
Property Insights of A1352/0061076
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A1352/0061076. The TPSA of 94.2 Ų falls within the moderate polarity range, balancing permeability and solubility for A1352/0061076. Following Lipinski's Rule of Five, A1352/0061076 has 1 hydrogen bond donor(s) and 4 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 A1352/0061076?
The CAS number of A1352/0061076 is 97651-28-0.
What is the molecular formula of A1352/0061076?
The molecular formula of A1352/0061076 is C16H13ClN2O2S.
What is the molecular weight of A1352/0061076?
The molecular weight of A1352/0061076 is 332.04 g/mol.
Where can I buy A1352/0061076?
You can request a quote for A1352/0061076 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1352/0061076?
Yes, KEHONG BIO provides custom synthesis services for A1352/0061076 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.