(2S)-4-(4-chlorophenyl)-2-(4-methylphenyl)-4-oxobutanoic acid
TL;DR: (2S)-4-(4-chlorophenyl)-2-(4-methylphenyl)-4-oxobutanoic acid (CAS 70596-90-6) is a chemical compound with molecular formula C17H15ClO3 and molecular weight 302.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-4-(4-chlorophenyl)-2-(4-methylphenyl)-4-oxobutanoic acid
Also Known As: 4-(4-chlorophenyl)-2-(4-methylphenyl)-4-oxobutanoic acid, (2S)-4-(4-chlorophenyl)-2-(4-methylphenyl)-4-oxobutanoic acid
| Molecular Formula | C17H15ClO3 |
|---|---|
| Molecular Weight | 302.07 g/mol |
| LogP | 4.08962 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 302.07098 |
| Heavy Atoms | 21 |
| Complexity | 644.74036 |
Chemical Identifiers
| CAS Number | 70596-90-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)[C@H](CC(=O)C2=CC=C(C=C2)Cl)C(=O)O |
Product Overview
(2S)-4-(4-chlorophenyl)-2-(4-methylphenyl)-4-oxobutanoic acid (CAS 70596-90-6), with molecular formula C17H15ClO3 and molecular weight 302.07 g/mol. IUPAC: (2S)-4-(4-chlorophenyl)-2-(4-methylphenyl)-4-oxobutanoic acid.
Chemical Property Profile of (2S)-4-(4-chlorophenyl)-2-(4-methylphenyl)-4-oxobutanoic acid
Property Insights of (2S)-4-(4-chlorophenyl)-2-(4-methylphenyl)-4-oxobutanoic acid
The XLogP value of 4.08962 indicates that (2S)-4-(4-chlorophenyl)-2-(4-methylphenyl)-4-oxobutanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.37 Ų, (2S)-4-(4-chlorophenyl)-2-(4-methylphenyl)-4-oxobutanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2S)-4-(4-chlorophenyl)-2-(4-methylphenyl)-4-oxobutanoic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2S)-4-(4-chlorophenyl)-2-(4-methylphenyl)-4-oxobutanoic acid?
The CAS number of (2S)-4-(4-chlorophenyl)-2-(4-methylphenyl)-4-oxobutanoic acid is 70596-90-6.
What is the molecular formula of (2S)-4-(4-chlorophenyl)-2-(4-methylphenyl)-4-oxobutanoic acid?
The molecular formula of (2S)-4-(4-chlorophenyl)-2-(4-methylphenyl)-4-oxobutanoic acid is C17H15ClO3.
What is the molecular weight of (2S)-4-(4-chlorophenyl)-2-(4-methylphenyl)-4-oxobutanoic acid?
The molecular weight of (2S)-4-(4-chlorophenyl)-2-(4-methylphenyl)-4-oxobutanoic acid is 302.07 g/mol.
Where can I buy (2S)-4-(4-chlorophenyl)-2-(4-methylphenyl)-4-oxobutanoic acid?
You can request a quote for (2S)-4-(4-chlorophenyl)-2-(4-methylphenyl)-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-4-(4-chlorophenyl)-2-(4-methylphenyl)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S)-4-(4-chlorophenyl)-2-(4-methylphenyl)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.