BAS 01235446
TL;DR: BAS 01235446 (CAS 332162-41-1) is a chemical compound with molecular formula C22H20N2O4S and molecular weight 408.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-[[5-cyano-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate
Also Known As: BAS 01235446, A2473/0105042, benzyl {[3-cyano-4-(4-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate, benzyl {[3-cyano-6-hydroxy-4-(4-methoxyphenyl)-4,5-dihydropyridin-2-yl]sulfanyl}acetate, benzyl 2-((3-cyano-4-(4-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)acetate
| Molecular Formula | C22H20N2O4S |
|---|---|
| Molecular Weight | 408.11 g/mol |
| LogP | 3.51048 |
| Topological Polar Surface Area | 88.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 408.11438 |
| Heavy Atoms | 29 |
| Complexity | 949.0276 |
Chemical Identifiers
| CAS Number | 332162-41-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2CC(=O)NC(=C2C#N)SCC(=O)OCC3=CC=CC=C3 |
Product Overview
BAS 01235446 (CAS 332162-41-1), with molecular formula C22H20N2O4S and molecular weight 408.11 g/mol. IUPAC: benzyl 2-[[5-cyano-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate.
Chemical Property Profile of BAS 01235446
Property Insights of BAS 01235446
The XLogP value of 3.51048 indicates that BAS 01235446 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.42 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01235446. Following Lipinski's Rule of Five, BAS 01235446 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 01235446?
The CAS number of BAS 01235446 is 332162-41-1.
What is the molecular formula of BAS 01235446?
The molecular formula of BAS 01235446 is C22H20N2O4S.
What is the molecular weight of BAS 01235446?
The molecular weight of BAS 01235446 is 408.11 g/mol.
Where can I buy BAS 01235446?
You can request a quote for BAS 01235446 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01235446?
Yes, KEHONG BIO provides custom synthesis services for BAS 01235446 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.