BAS 00867643
TL;DR: BAS 00867643 (CAS 332053-31-3) is a chemical compound with molecular formula C30H27N3OS and molecular weight 477.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-cyano-6-(4-methylphenyl)-4-phenyl-2-pyridinyl]sulfanyl]-N-(2,6-dimethylphenyl)propanamide
Also Known As: BAS 00867643, 2-((3-Cyano-4-phenyl-6-(p-tolyl)pyridin-2-yl)thio)-N-(2,6-dimethylphenyl)propanamide, 2-[3-cyano-6-(4-methylphenyl)-4-phenylpyridin-2-yl]sulfanyl-N-(2,6-dimethylphenyl)propanamide, 2-(3-Cyano-4-phenyl-6-p-tolyl-pyridin-2-ylsulfanyl)-N-(2,6-dimethyl-phenyl)-propionamide, N-(2,6-dimethylphenyl)-2-[3-cyano-6-(4-methylphenyl)-4-phenyl(2-pyridylthio)]p ropanamide
| Molecular Formula | C30H27N3OS |
|---|---|
| Molecular Weight | 477.19 g/mol |
| LogP | 7.33184 |
| Topological Polar Surface Area | 65.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 477.18747 |
| Heavy Atoms | 35 |
| Complexity | 1386.2131 |
Chemical Identifiers
| CAS Number | 332053-31-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SC(C)C(=O)NC4=C(C=CC=C4C)C |
Product Overview
BAS 00867643 (CAS 332053-31-3), with molecular formula C30H27N3OS and molecular weight 477.19 g/mol. IUPAC: 2-[[3-cyano-6-(4-methylphenyl)-4-phenyl-2-pyridinyl]sulfanyl]-N-(2,6-dimethylphenyl)propanamide.
Chemical Property Profile of BAS 00867643
Property Insights of BAS 00867643
The XLogP value of 7.33184 indicates that BAS 00867643 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.78 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00867643. Following Lipinski's Rule of Five, BAS 00867643 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00867643?
The CAS number of BAS 00867643 is 332053-31-3.
What is the molecular formula of BAS 00867643?
The molecular formula of BAS 00867643 is C30H27N3OS.
What is the molecular weight of BAS 00867643?
The molecular weight of BAS 00867643 is 477.19 g/mol.
Where can I buy BAS 00867643?
You can request a quote for BAS 00867643 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00867643?
Yes, KEHONG BIO provides custom synthesis services for BAS 00867643 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.