BAS 00865546
TL;DR: BAS 00865546 (CAS 332045-82-6) is a chemical compound with molecular formula C18H17ClN2O5S and molecular weight 408.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(2-chlorophenyl)-5-cyano-6-(2-ethoxy-2-oxoethyl)sulfanyl-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
Also Known As: BAS 00865546, methyl 4-(2-chlorophenyl)-5-cyano-6-[(2-ethoxy-2-oxoethyl)sulfanyl]-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate, methyl 4-(2-chlorophenyl)-5-cyano-6-(2-ethoxy-2-oxoethyl)sulfanyl-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate, ethyl 2-[4-(2-chlorophenyl)-3-cyano-5-(methoxycarbonyl)-6-oxo-2-1,4,5-trihydro pyridylthio]acetate, methyl 4-(2-chlorophenyl)-5-cyano-6-((2-ethoxy-2-oxoethyl)thio)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
| Molecular Formula | C18H17ClN2O5S |
|---|---|
| Molecular Weight | 408.05 g/mol |
| LogP | 2.37408 |
| Topological Polar Surface Area | 105.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 408.05466 |
| Heavy Atoms | 27 |
| Complexity | 833.2861 |
Chemical Identifiers
| CAS Number | 332045-82-6 |
|---|---|
| SMILES | CCOC(=O)CSC1=C(C(C(C(=O)N1)C(=O)OC)C2=CC=CC=C2Cl)C#N |
Product Overview
BAS 00865546 (CAS 332045-82-6), with molecular formula C18H17ClN2O5S and molecular weight 408.05 g/mol. IUPAC: methyl 4-(2-chlorophenyl)-5-cyano-6-(2-ethoxy-2-oxoethyl)sulfanyl-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate.
Chemical Property Profile of BAS 00865546
Property Insights of BAS 00865546
The XLogP value of 2.37408 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00865546. The TPSA of 105.49 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00865546. Following Lipinski's Rule of Five, BAS 00865546 has 1 hydrogen bond donor(s) and 7 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 00865546?
The CAS number of BAS 00865546 is 332045-82-6.
What is the molecular formula of BAS 00865546?
The molecular formula of BAS 00865546 is C18H17ClN2O5S.
What is the molecular weight of BAS 00865546?
The molecular weight of BAS 00865546 is 408.05 g/mol.
Where can I buy BAS 00865546?
You can request a quote for BAS 00865546 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00865546?
Yes, KEHONG BIO provides custom synthesis services for BAS 00865546 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.