BAS 00865701
TL;DR: BAS 00865701 (CAS 264254-96-8) is a chemical compound with molecular formula C15H14N2O4S and molecular weight 318.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[5-cyano-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate
Also Known As: BAS 00865701, AB00667082-01, methyl {[3-cyano-4-(4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate, methyl 2-{[3-cyano-4-(4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate, F0192-0179
| Molecular Formula | C15H14N2O4S |
|---|---|
| Molecular Weight | 318.07 g/mol |
| LogP | 1.63708 |
| Topological Polar Surface Area | 99.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.0674 |
| Heavy Atoms | 22 |
| Complexity | 661.1152 |
Chemical Identifiers
| CAS Number | 264254-96-8 |
|---|---|
| SMILES | COC(=O)CSC1=C(C(CC(=O)N1)C2=CC=C(C=C2)O)C#N |
Product Overview
BAS 00865701 (CAS 264254-96-8), with molecular formula C15H14N2O4S and molecular weight 318.07 g/mol. IUPAC: methyl 2-[[5-cyano-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate.
Chemical Property Profile of BAS 00865701
Property Insights of BAS 00865701
The XLogP value of 1.63708 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00865701. The TPSA of 99.42 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00865701. Following Lipinski's Rule of Five, BAS 00865701 has 2 hydrogen bond donor(s) and 6 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 00865701?
The CAS number of BAS 00865701 is 264254-96-8.
What is the molecular formula of BAS 00865701?
The molecular formula of BAS 00865701 is C15H14N2O4S.
What is the molecular weight of BAS 00865701?
The molecular weight of BAS 00865701 is 318.07 g/mol.
Where can I buy BAS 00865701?
You can request a quote for BAS 00865701 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00865701?
Yes, KEHONG BIO provides custom synthesis services for BAS 00865701 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.