BAS 00865631
TL;DR: BAS 00865631 (CAS 327171-08-4) is a chemical compound with molecular formula C17H18N2O4S and molecular weight 346.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[5-cyano-4-(2-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate
Also Known As: BAS 00865631, ethyl {[3-cyano-4-(2-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate, ethyl {[3-cyano-4-(2-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydro-2-pyridinyl]sulfanyl}acetate, ethyl 2-((3-cyano-4-(2-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)acetate, ethyl 2-[[5-cyano-4-(2-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate
| Molecular Formula | C17H18N2O4S |
|---|---|
| Molecular Weight | 346.10 g/mol |
| LogP | 2.33018 |
| Topological Polar Surface Area | 88.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 346.09872 |
| Heavy Atoms | 24 |
| Complexity | 708.78723 |
Chemical Identifiers
| CAS Number | 327171-08-4 |
|---|---|
| SMILES | CCOC(=O)CSC1=C(C(CC(=O)N1)C2=CC=CC=C2OC)C#N |
Product Overview
BAS 00865631 (CAS 327171-08-4), with molecular formula C17H18N2O4S and molecular weight 346.10 g/mol. IUPAC: ethyl 2-[[5-cyano-4-(2-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate.
Chemical Property Profile of BAS 00865631
Property Insights of BAS 00865631
The XLogP value of 2.33018 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00865631. The TPSA of 88.42 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00865631. Following Lipinski's Rule of Five, BAS 00865631 has 1 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 00865631?
The CAS number of BAS 00865631 is 327171-08-4.
What is the molecular formula of BAS 00865631?
The molecular formula of BAS 00865631 is C17H18N2O4S.
What is the molecular weight of BAS 00865631?
The molecular weight of BAS 00865631 is 346.10 g/mol.
Where can I buy BAS 00865631?
You can request a quote for BAS 00865631 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00865631?
Yes, KEHONG BIO provides custom synthesis services for BAS 00865631 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.