BAS 01157613
TL;DR: BAS 01157613 (CAS 332127-93-2) is a chemical compound with molecular formula C29H24ClN3O2S and molecular weight 513.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[6-(4-chlorophenyl)-3-cyano-4-(4-methoxyphenyl)-2-pyridinyl]sulfanyl]-N-(2-ethylphenyl)acetamide
Also Known As: BAS 01157613, 2-((6-(4-Chlorophenyl)-3-cyano-4-(4-methoxyphenyl)pyridin-2-yl)thio)-N-(2-ethylphenyl)acetamide, 2-[6-(4-chlorophenyl)-3-cyano-4-(4-methoxyphenyl)pyridin-2-yl]sulfanyl-N-(2-ethylphenyl)acetamide, 2-[6-(4-Chloro-phenyl)-3-cyano-4-(4-methoxy-phenyl)-pyridin-2-ylsulfanyl]-N-(2-ethyl-phenyl)-acetamide, 2-[6-(4-chlorophenyl)-3-cyano-4-(4-methoxyphenyl)(2-pyridylthio)]-N-(2-ethylph enyl)acetamide
| Molecular Formula | C29H24ClN3O2S |
|---|---|
| Molecular Weight | 513.13 g/mol |
| LogP | 7.24248 |
| Topological Polar Surface Area | 75.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 513.12775 |
| Heavy Atoms | 36 |
| Complexity | 1414.3809 |
Chemical Identifiers
| CAS Number | 332127-93-2 |
|---|---|
| SMILES | CCC1=CC=CC=C1NC(=O)CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)OC)C#N |
Product Overview
BAS 01157613 (CAS 332127-93-2), with molecular formula C29H24ClN3O2S and molecular weight 513.13 g/mol. IUPAC: 2-[[6-(4-chlorophenyl)-3-cyano-4-(4-methoxyphenyl)-2-pyridinyl]sulfanyl]-N-(2-ethylphenyl)acetamide.
Chemical Property Profile of BAS 01157613
Property Insights of BAS 01157613
The XLogP value of 7.24248 indicates that BAS 01157613 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.01 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01157613. Following Lipinski's Rule of Five, BAS 01157613 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01157613?
The CAS number of BAS 01157613 is 332127-93-2.
What is the molecular formula of BAS 01157613?
The molecular formula of BAS 01157613 is C29H24ClN3O2S.
What is the molecular weight of BAS 01157613?
The molecular weight of BAS 01157613 is 513.13 g/mol.
Where can I buy BAS 01157613?
You can request a quote for BAS 01157613 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01157613?
Yes, KEHONG BIO provides custom synthesis services for BAS 01157613 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.