BAS 01213293
TL;DR: BAS 01213293 (CAS 332161-66-7) 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-(4-chloro-3-nitrophenyl)-2-[[3-cyano-4-(4-methylphenyl)-6-phenyl-2-pyridinyl]sulfanyl]acetamide
Also Known As: BAS 01213293, N-(4-Chloro-3-nitrophenyl)-2-((3-cyano-6-phenyl-4-(p-tolyl)pyridin-2-yl)thio)acetamide, N-(4-Chloro-3-nitro-phenyl)-2-(3-cyano-6-phenyl-4-p-tolyl-pyridin-2-ylsulfanyl)-acetamide, N-(4-chloro-3-nitrophenyl)-2-[3-cyano-4-(4-methylphenyl)-6-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 | 332161-66-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-])C4=CC=CC=C4 |
Product Overview
BAS 01213293 (CAS 332161-66-7), with molecular formula C27H19ClN4O3S and molecular weight 514.09 g/mol. IUPAC: N-(4-chloro-3-nitrophenyl)-2-[[3-cyano-4-(4-methylphenyl)-6-phenyl-2-pyridinyl]sulfanyl]acetamide.
Chemical Property Profile of BAS 01213293
Property Insights of BAS 01213293
The XLogP value of 6.8881 indicates that BAS 01213293 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 01213293. Following Lipinski's Rule of Five, BAS 01213293 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 01213293?
The CAS number of BAS 01213293 is 332161-66-7.
What is the molecular formula of BAS 01213293?
The molecular formula of BAS 01213293 is C27H19ClN4O3S.
What is the molecular weight of BAS 01213293?
The molecular weight of BAS 01213293 is 514.09 g/mol.
Where can I buy BAS 01213293?
You can request a quote for BAS 01213293 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01213293?
Yes, KEHONG BIO provides custom synthesis services for BAS 01213293 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.