BAS 00866247
TL;DR: BAS 00866247 (CAS 375838-11-2) is a chemical compound with molecular formula C16H16N2O5S and molecular weight 348.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate
Also Known As: BAS 00866247, methyl {[3-cyano-4-(4-hydroxy-3-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate, F0192-0344, methyl 2-{[3-cyano-4-(4-hydroxy-3-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate, methyl 2-((3-cyano-4-(4-hydroxy-3-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)acetate
| Molecular Formula | C16H16N2O5S |
|---|---|
| Molecular Weight | 348.08 g/mol |
| LogP | 1.64568 |
| Topological Polar Surface Area | 108.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 348.078 |
| Heavy Atoms | 24 |
| Complexity | 738.4736 |
Chemical Identifiers
| CAS Number | 375838-11-2 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C2CC(=O)NC(=C2C#N)SCC(=O)OC)O |
Product Overview
BAS 00866247 (CAS 375838-11-2), with molecular formula C16H16N2O5S and molecular weight 348.08 g/mol. IUPAC: methyl 2-[[5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate.
Chemical Property Profile of BAS 00866247
Property Insights of BAS 00866247
The XLogP value of 1.64568 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00866247. The TPSA of 108.65 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00866247. Following Lipinski's Rule of Five, BAS 00866247 has 2 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 00866247?
The CAS number of BAS 00866247 is 375838-11-2.
What is the molecular formula of BAS 00866247?
The molecular formula of BAS 00866247 is C16H16N2O5S.
What is the molecular weight of BAS 00866247?
The molecular weight of BAS 00866247 is 348.08 g/mol.
Where can I buy BAS 00866247?
You can request a quote for BAS 00866247 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00866247?
Yes, KEHONG BIO provides custom synthesis services for BAS 00866247 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.