BAS 02876388
TL;DR: BAS 02876388 (CAS 289686-03-9) is a chemical compound with molecular formula C25H22N2O4S and molecular weight 446.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-cyano-6-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-4-methyl-2-phenylpyridine-3-carboxylate
Also Known As: BAS 02876388, ethyl 5-cyano-6-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-4-methyl-2-phenylnicotinate, ethyl 5-cyano-6-[2-(4-methoxyphenyl)-2-oxoethylthio]-4-methyl-2-phenylpyridine -3-carboxylate, ethyl 5-cyano-6-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-4-methyl-2-phenylpyridine-3-carboxylate
| Molecular Formula | C25H22N2O4S |
|---|---|
| Molecular Weight | 446.13 g/mol |
| LogP | 5.089 |
| Topological Polar Surface Area | 89.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 446.13004 |
| Heavy Atoms | 32 |
| Complexity | 1169.2866 |
Chemical Identifiers
| CAS Number | 289686-03-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(C(=C1C)C#N)SCC(=O)C2=CC=C(C=C2)OC)C3=CC=CC=C3 |
Product Overview
BAS 02876388 (CAS 289686-03-9), with molecular formula C25H22N2O4S and molecular weight 446.13 g/mol. IUPAC: ethyl 5-cyano-6-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-4-methyl-2-phenylpyridine-3-carboxylate.
Chemical Property Profile of BAS 02876388
Property Insights of BAS 02876388
The XLogP value of 5.089 indicates that BAS 02876388 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.28 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02876388. Following Lipinski's Rule of Five, BAS 02876388 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 02876388?
The CAS number of BAS 02876388 is 289686-03-9.
What is the molecular formula of BAS 02876388?
The molecular formula of BAS 02876388 is C25H22N2O4S.
What is the molecular weight of BAS 02876388?
The molecular weight of BAS 02876388 is 446.13 g/mol.
Where can I buy BAS 02876388?
You can request a quote for BAS 02876388 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02876388?
Yes, KEHONG BIO provides custom synthesis services for BAS 02876388 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.