BAS 00865540
TL;DR: BAS 00865540 (CAS 499985-84-1) is a chemical compound with molecular formula C14H11ClN2O3S and molecular weight 322.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(2-chlorophenyl)-5-cyano-2-oxo-6-sulfanyl-3,4-dihydro-1H-pyridine-3-carboxylate
Also Known As: BAS 00865540, Methyl 4-(2-chlorophenyl)-5-cyano-6-mercapto-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate, methyl 4-(2-chlorophenyl)-5-cyano-2-oxo-6-sulfanyl-3,4-dihydro-1H-pyridine-3-carboxylate
| Molecular Formula | C14H11ClN2O3S |
|---|---|
| Molecular Weight | 322.02 g/mol |
| LogP | 2.00758 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 322.01788 |
| Heavy Atoms | 21 |
| Complexity | 681.0419 |
Chemical Identifiers
| CAS Number | 499985-84-1 |
|---|---|
| SMILES | COC(=O)C1C(C(=C(NC1=O)S)C#N)C2=CC=CC=C2Cl |
Product Overview
BAS 00865540 (CAS 499985-84-1), with molecular formula C14H11ClN2O3S and molecular weight 322.02 g/mol. IUPAC: methyl 4-(2-chlorophenyl)-5-cyano-2-oxo-6-sulfanyl-3,4-dihydro-1H-pyridine-3-carboxylate.
Chemical Property Profile of BAS 00865540
Property Insights of BAS 00865540
The XLogP value of 2.00758 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00865540. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00865540. Following Lipinski's Rule of Five, BAS 00865540 has 2 hydrogen bond donor(s) and 5 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 BAS 00865540?
The CAS number of BAS 00865540 is 499985-84-1.
What is the molecular formula of BAS 00865540?
The molecular formula of BAS 00865540 is C14H11ClN2O3S.
What is the molecular weight of BAS 00865540?
The molecular weight of BAS 00865540 is 322.02 g/mol.
Where can I buy BAS 00865540?
You can request a quote for BAS 00865540 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00865540?
Yes, KEHONG BIO provides custom synthesis services for BAS 00865540 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.