(2S)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoic acid
TL;DR: (2S)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoic acid (CAS 39206-70-7) is a chemical compound with molecular formula C16H13ClO3 and molecular weight 288.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoic acid
Also Known As: 2-(4-chlorophenyl)-4-oxo-4-phenylbutanoic acid, 2-(4-chlorophenyl)-4-oxo-4-phenyl-butanoic Acid, (2S)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoic acid
| Molecular Formula | C16H13ClO3 |
|---|---|
| Molecular Weight | 288.06 g/mol |
| LogP | 3.7812 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 288.05533 |
| Heavy Atoms | 20 |
| Complexity | 605.3789 |
Chemical Identifiers
| CAS Number | 39206-70-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C[C@@H](C2=CC=C(C=C2)Cl)C(=O)O |
Product Overview
(2S)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoic acid (CAS 39206-70-7), with molecular formula C16H13ClO3 and molecular weight 288.06 g/mol. IUPAC: (2S)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoic acid.
Chemical Property Profile of (2S)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoic acid
Property Insights of (2S)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoic acid
The XLogP value of 3.7812 indicates that (2S)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoic 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)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2S)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoic 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)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoic acid?
The CAS number of (2S)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoic acid is 39206-70-7.
What is the molecular formula of (2S)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoic acid?
The molecular formula of (2S)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoic acid is C16H13ClO3.
What is the molecular weight of (2S)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoic acid?
The molecular weight of (2S)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoic acid is 288.06 g/mol.
Where can I buy (2S)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoic acid?
You can request a quote for (2S)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.