BAS 00865593
TL;DR: BAS 00865593 (CAS 332045-89-3) is a chemical compound with molecular formula C16H15ClN2O3S and molecular weight 350.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[4-(4-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate
Also Known As: BAS 00865593, ethyl 2-[[4-(4-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate, ethyl {[4-(4-chlorophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate, ethyl 2-((4-(4-chlorophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)acetate, ethyl 2-[4-(4-chlorophenyl)-3-cyano-6-oxo-2-1,4,5-trihydropyridylthio]acetate
| Molecular Formula | C16H15ClN2O3S |
|---|---|
| Molecular Weight | 350.05 g/mol |
| LogP | 2.97498 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 350.0492 |
| Heavy Atoms | 23 |
| Complexity | 679.5609 |
Chemical Identifiers
| CAS Number | 332045-89-3 |
|---|---|
| SMILES | CCOC(=O)CSC1=C(C(CC(=O)N1)C2=CC=C(C=C2)Cl)C#N |
Product Overview
BAS 00865593 (CAS 332045-89-3), with molecular formula C16H15ClN2O3S and molecular weight 350.05 g/mol. IUPAC: ethyl 2-[[4-(4-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate.
Chemical Property Profile of BAS 00865593
Property Insights of BAS 00865593
The XLogP value of 2.97498 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00865593. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00865593. Following Lipinski's Rule of Five, BAS 00865593 has 1 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 00865593?
The CAS number of BAS 00865593 is 332045-89-3.
What is the molecular formula of BAS 00865593?
The molecular formula of BAS 00865593 is C16H15ClN2O3S.
What is the molecular weight of BAS 00865593?
The molecular weight of BAS 00865593 is 350.05 g/mol.
Where can I buy BAS 00865593?
You can request a quote for BAS 00865593 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00865593?
Yes, KEHONG BIO provides custom synthesis services for BAS 00865593 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.