BAS 00801684
TL;DR: BAS 00801684 (CAS 332018-70-9) is a chemical compound with molecular formula C27H20N4O4S and molecular weight 496.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-(4-nitrophenyl)acetamide
Also Known As: BAS 00801684, 2-((3-Cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl)thio)-N-(4-nitrophenyl)acetamide, 2-[3-cyano-4-(4-methoxyphenyl)-6-phenyl(2-pyridylthio)]-N-(4-nitrophenyl)aceta mide, 2-[3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanyl-N-(4-nitrophenyl)acetamide, 2-[3-Cyano-4-(4-methoxy-phenyl)-6-phenyl-pyridin-2-ylsulfanyl]-N-(4-nitro-phenyl)-acetamide
| Molecular Formula | C27H20N4O4S |
|---|---|
| Molecular Weight | 496.12 g/mol |
| LogP | 5.93488 |
| Topological Polar Surface Area | 118.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 496.1205 |
| Heavy Atoms | 36 |
| Complexity | 1434.0885 |
Chemical Identifiers
| CAS Number | 332018-70-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4 |
Product Overview
BAS 00801684 (CAS 332018-70-9), with molecular formula C27H20N4O4S and molecular weight 496.12 g/mol. IUPAC: 2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-(4-nitrophenyl)acetamide.
Chemical Property Profile of BAS 00801684
Property Insights of BAS 00801684
The XLogP value of 5.93488 indicates that BAS 00801684 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.15 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00801684. Following Lipinski's Rule of Five, BAS 00801684 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00801684?
The CAS number of BAS 00801684 is 332018-70-9.
What is the molecular formula of BAS 00801684?
The molecular formula of BAS 00801684 is C27H20N4O4S.
What is the molecular weight of BAS 00801684?
The molecular weight of BAS 00801684 is 496.12 g/mol.
Where can I buy BAS 00801684?
You can request a quote for BAS 00801684 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00801684?
Yes, KEHONG BIO provides custom synthesis services for BAS 00801684 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.