BAS 01248062
TL;DR: BAS 01248062 (CAS 332171-38-7) is a chemical compound with molecular formula C27H19ClN4O3S and molecular weight 514.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-chloro-4-nitrophenyl)-2-[[3-cyano-6-(4-methylphenyl)-4-phenyl-2-pyridinyl]sulfanyl]acetamide
Also Known As: BAS 01248062, N-(2-Chloro-4-nitrophenyl)-2-((3-cyano-4-phenyl-6-(p-tolyl)pyridin-2-yl)thio)acetamide, N-(2-Chloro-4-nitro-phenyl)-2-(3-cyano-4-phenyl-6-p-tolyl-pyridin-2-ylsulfanyl)-acetamide, N-(2-chloro-4-nitrophenyl)-2-[3-cyano-6-(4-methylphenyl)-4-phenylpyridin-2-yl]sulfanylacetamide
| Molecular Formula | C27H19ClN4O3S |
|---|---|
| Molecular Weight | 514.09 g/mol |
| LogP | 6.8881 |
| Topological Polar Surface Area | 108.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 514.0866 |
| Heavy Atoms | 36 |
| Complexity | 1485.8801 |
Chemical Identifiers
| CAS Number | 332171-38-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCC(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])Cl |
Product Overview
BAS 01248062 (CAS 332171-38-7), with molecular formula C27H19ClN4O3S and molecular weight 514.09 g/mol. IUPAC: N-(2-chloro-4-nitrophenyl)-2-[[3-cyano-6-(4-methylphenyl)-4-phenyl-2-pyridinyl]sulfanyl]acetamide.
Chemical Property Profile of BAS 01248062
Property Insights of BAS 01248062
The XLogP value of 6.8881 indicates that BAS 01248062 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.92 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01248062. Following Lipinski's Rule of Five, BAS 01248062 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01248062?
The CAS number of BAS 01248062 is 332171-38-7.
What is the molecular formula of BAS 01248062?
The molecular formula of BAS 01248062 is C27H19ClN4O3S.
What is the molecular weight of BAS 01248062?
The molecular weight of BAS 01248062 is 514.09 g/mol.
Where can I buy BAS 01248062?
You can request a quote for BAS 01248062 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01248062?
Yes, KEHONG BIO provides custom synthesis services for BAS 01248062 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.