BAS 01094818
TL;DR: BAS 01094818 (CAS 336174-06-2) is a chemical compound with molecular formula C26H17ClN4O3S and molecular weight 500.07 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-phenyl-2-pyridinyl]sulfanyl]-N-(4-nitrophenyl)acetamide
Also Known As: BAS 01094818, 2-((6-(4-Chlorophenyl)-3-cyano-4-phenylpyridin-2-yl)thio)-N-(4-nitrophenyl)acetamide, 2-[6-(4-chlorophenyl)-3-cyano-4-phenylpyridin-2-yl]sulfanyl-N-(4-nitrophenyl)acetamide, 2-[6-(4-Chloro-phenyl)-3-cyano-4-phenyl-pyridin-2-ylsulfanyl]-N-(4-nitro-phenyl)-acetamide
| Molecular Formula | C26H17ClN4O3S |
|---|---|
| Molecular Weight | 500.07 g/mol |
| LogP | 6.57968 |
| Topological Polar Surface Area | 108.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 500.07098 |
| Heavy Atoms | 35 |
| Complexity | 1420.4246 |
Chemical Identifiers
| CAS Number | 336174-06-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)Cl |
Product Overview
BAS 01094818 (CAS 336174-06-2), with molecular formula C26H17ClN4O3S and molecular weight 500.07 g/mol. IUPAC: 2-[[6-(4-chlorophenyl)-3-cyano-4-phenyl-2-pyridinyl]sulfanyl]-N-(4-nitrophenyl)acetamide.
Chemical Property Profile of BAS 01094818
Property Insights of BAS 01094818
The XLogP value of 6.57968 indicates that BAS 01094818 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 01094818. Following Lipinski's Rule of Five, BAS 01094818 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 01094818?
The CAS number of BAS 01094818 is 336174-06-2.
What is the molecular formula of BAS 01094818?
The molecular formula of BAS 01094818 is C26H17ClN4O3S.
What is the molecular weight of BAS 01094818?
The molecular weight of BAS 01094818 is 500.07 g/mol.
Where can I buy BAS 01094818?
You can request a quote for BAS 01094818 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01094818?
Yes, KEHONG BIO provides custom synthesis services for BAS 01094818 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.