BAS 01213457
TL;DR: BAS 01213457 (CAS 332163-95-8) is a chemical compound with molecular formula C26H16Cl2N4O3S and molecular weight 534.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-chloro-4-nitrophenyl)-2-[[4-(4-chlorophenyl)-3-cyano-6-phenyl-2-pyridinyl]sulfanyl]acetamide
Also Known As: BAS 01213457, N-(2-Chloro-4-nitrophenyl)-2-((4-(4-chlorophenyl)-3-cyano-6-phenylpyridin-2-yl)thio)acetamide, N-(2-Chloro-4-nitro-phenyl)-2-[4-(4-chloro-phenyl)-3-cyano-6-phenyl-pyridin-2-ylsulfanyl]-acetamide, N-(2-chloro-4-nitrophenyl)-2-[4-(4-chlorophenyl)-3-cyano-6-phenylpyridin-2-yl]sulfanylacetamide
| Molecular Formula | C26H16Cl2N4O3S |
|---|---|
| Molecular Weight | 534.03 g/mol |
| LogP | 7.23308 |
| Topological Polar Surface Area | 108.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 534.03204 |
| Heavy Atoms | 36 |
| Complexity | 1490.0507 |
Chemical Identifiers
| CAS Number | 332163-95-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=C(C=C3)Cl)C#N)SCC(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])Cl |
Product Overview
BAS 01213457 (CAS 332163-95-8), with molecular formula C26H16Cl2N4O3S and molecular weight 534.03 g/mol. IUPAC: N-(2-chloro-4-nitrophenyl)-2-[[4-(4-chlorophenyl)-3-cyano-6-phenyl-2-pyridinyl]sulfanyl]acetamide.
Chemical Property Profile of BAS 01213457
Property Insights of BAS 01213457
The XLogP value of 7.23308 indicates that BAS 01213457 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 01213457. Following Lipinski's Rule of Five, BAS 01213457 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 01213457?
The CAS number of BAS 01213457 is 332163-95-8.
What is the molecular formula of BAS 01213457?
The molecular formula of BAS 01213457 is C26H16Cl2N4O3S.
What is the molecular weight of BAS 01213457?
The molecular weight of BAS 01213457 is 534.03 g/mol.
Where can I buy BAS 01213457?
You can request a quote for BAS 01213457 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01213457?
Yes, KEHONG BIO provides custom synthesis services for BAS 01213457 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.