BAS 00865872
TL;DR: BAS 00865872 (CAS 332050-82-5) is a chemical compound with molecular formula C22H20N2O3S and molecular weight 392.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-[[5-cyano-4-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate
Also Known As: BAS 00865872, F0837-0204, benzyl 2-{[3-cyano-4-(2-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate, benzyl {[3-cyano-4-(2-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate, benzyl 2-((3-cyano-6-oxo-4-(o-tolyl)-1,4,5,6-tetrahydropyridin-2-yl)thio)acetate
| Molecular Formula | C22H20N2O3S |
|---|---|
| Molecular Weight | 392.12 g/mol |
| LogP | 3.8103 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 392.11948 |
| Heavy Atoms | 28 |
| Complexity | 947.7543 |
Chemical Identifiers
| CAS Number | 332050-82-5 |
|---|---|
| SMILES | CC1=CC=CC=C1C2CC(=O)NC(=C2C#N)SCC(=O)OCC3=CC=CC=C3 |
Product Overview
BAS 00865872 (CAS 332050-82-5), with molecular formula C22H20N2O3S and molecular weight 392.12 g/mol. IUPAC: benzyl 2-[[5-cyano-4-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate.
Chemical Property Profile of BAS 00865872
Property Insights of BAS 00865872
The XLogP value of 3.8103 indicates that BAS 00865872 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00865872. Following Lipinski's Rule of Five, BAS 00865872 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 00865872?
The CAS number of BAS 00865872 is 332050-82-5.
What is the molecular formula of BAS 00865872?
The molecular formula of BAS 00865872 is C22H20N2O3S.
What is the molecular weight of BAS 00865872?
The molecular weight of BAS 00865872 is 392.12 g/mol.
Where can I buy BAS 00865872?
You can request a quote for BAS 00865872 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00865872?
Yes, KEHONG BIO provides custom synthesis services for BAS 00865872 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.