BAS 00867682
TL;DR: BAS 00867682 (CAS 332053-66-4) is a chemical compound with molecular formula C27H19N3O4S and molecular weight 481.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methoxyphenyl)-2-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-6-phenylpyridine-3-carbonitrile
Also Known As: BAS 00867682, 4-(4-Methoxyphenyl)-2-((2-(4-nitrophenyl)-2-oxoethyl)thio)-6-phenylnicotinonitrile, 4-(4-Methoxy-phenyl)-2-[2-(4-nitro-phenyl)-2-oxo-ethylsulfanyl]-6-phenyl-nicotinonitrile, 4-(4-methoxyphenyl)-2-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-6-phenylpyridine-3-carbonitrile
| Molecular Formula | C27H19N3O4S |
|---|---|
| Molecular Weight | 481.11 g/mol |
| LogP | 6.17908 |
| Topological Polar Surface Area | 106.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 481.10962 |
| Heavy Atoms | 35 |
| Complexity | 1414.254 |
Chemical Identifiers
| CAS Number | 332053-66-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4 |
Product Overview
BAS 00867682 (CAS 332053-66-4), with molecular formula C27H19N3O4S and molecular weight 481.11 g/mol. IUPAC: 4-(4-methoxyphenyl)-2-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-6-phenylpyridine-3-carbonitrile.
Chemical Property Profile of BAS 00867682
Property Insights of BAS 00867682
The XLogP value of 6.17908 indicates that BAS 00867682 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.12 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00867682. Following Lipinski's Rule of Five, BAS 00867682 has 0 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 00867682?
The CAS number of BAS 00867682 is 332053-66-4.
What is the molecular formula of BAS 00867682?
The molecular formula of BAS 00867682 is C27H19N3O4S.
What is the molecular weight of BAS 00867682?
The molecular weight of BAS 00867682 is 481.11 g/mol.
Where can I buy BAS 00867682?
You can request a quote for BAS 00867682 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00867682?
Yes, KEHONG BIO provides custom synthesis services for BAS 00867682 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.