BAS 00725732
TL;DR: BAS 00725732 (CAS 316360-28-8) is a chemical compound with molecular formula C29H23ClN2O2S and molecular weight 498.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-4-(2-chlorophenyl)-6-methyl-2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-1,4-dihydropyridine-3-carbonitrile
Also Known As: BAS 00725732, 5-acetyl-4-(2-chlorophenyl)-6-methyl-2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-1,4-dihydropyridine-3-carbonitrile, 2-((2-([1,1'-biphenyl]-4-yl)-2-oxoethyl)thio)-5-acetyl-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3-carbonitrile, 5-acetyl-2-{[2-(biphenyl-4-yl)-2-oxoethyl]sulfanyl}-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3-carbonitrile
| Molecular Formula | C29H23ClN2O2S |
|---|---|
| Molecular Weight | 498.12 g/mol |
| LogP | 6.90808 |
| Topological Polar Surface Area | 69.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 498.11688 |
| Heavy Atoms | 35 |
| Complexity | 1386.1841 |
Chemical Identifiers
| CAS Number | 316360-28-8 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C#N)C4=CC=CC=C4Cl)C(=O)C |
Product Overview
BAS 00725732 (CAS 316360-28-8), with molecular formula C29H23ClN2O2S and molecular weight 498.12 g/mol. IUPAC: 5-acetyl-4-(2-chlorophenyl)-6-methyl-2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-1,4-dihydropyridine-3-carbonitrile.
Chemical Property Profile of BAS 00725732
Property Insights of BAS 00725732
The XLogP value of 6.90808 indicates that BAS 00725732 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.96 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00725732. Following Lipinski's Rule of Five, BAS 00725732 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00725732?
The CAS number of BAS 00725732 is 316360-28-8.
What is the molecular formula of BAS 00725732?
The molecular formula of BAS 00725732 is C29H23ClN2O2S.
What is the molecular weight of BAS 00725732?
The molecular weight of BAS 00725732 is 498.12 g/mol.
Where can I buy BAS 00725732?
You can request a quote for BAS 00725732 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00725732?
Yes, KEHONG BIO provides custom synthesis services for BAS 00725732 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.