(S)-Methyl-2-(3-benzoylphenyl)propanoate
TL;DR: (S)-Methyl-2-(3-benzoylphenyl)propanoate (CAS 81601-91-4) is a chemical compound with molecular formula C17H16O3 and molecular weight 268.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-(3-benzoylphenyl)propanoate
Also Known As: Ketoprofen Impurity 27, (S)-Methyl-2-(3-benzoylphenyl)propanoate, Dexketoprofen Methyl Ester, methyl (2S)-2-(3-benzoylphenyl)propanoate, Ketoprofen related compound E [USP-MC]
| Molecular Formula | C17H16O3 |
|---|---|
| Molecular Weight | 268.11 g/mol |
| LogP | 3.1941 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 268.10995 |
| Heavy Atoms | 20 |
| Complexity | 617.1421 |
Chemical Identifiers
| CAS Number | 81601-91-4 |
|---|---|
| SMILES | C[C@@H](C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)OC |
Product Overview
(S)-Methyl-2-(3-benzoylphenyl)propanoate (CAS 81601-91-4), with molecular formula C17H16O3 and molecular weight 268.11 g/mol. IUPAC: methyl (2S)-2-(3-benzoylphenyl)propanoate.
Chemical Property Profile of (S)-Methyl-2-(3-benzoylphenyl)propanoate
Property Insights of (S)-Methyl-2-(3-benzoylphenyl)propanoate
The XLogP value of 3.1941 indicates that (S)-Methyl-2-(3-benzoylphenyl)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, (S)-Methyl-2-(3-benzoylphenyl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (S)-Methyl-2-(3-benzoylphenyl)propanoate has 0 hydrogen bond donor(s) and 3 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 (S)-Methyl-2-(3-benzoylphenyl)propanoate?
The CAS number of (S)-Methyl-2-(3-benzoylphenyl)propanoate is 81601-91-4.
What is the molecular formula of (S)-Methyl-2-(3-benzoylphenyl)propanoate?
The molecular formula of (S)-Methyl-2-(3-benzoylphenyl)propanoate is C17H16O3.
What is the molecular weight of (S)-Methyl-2-(3-benzoylphenyl)propanoate?
The molecular weight of (S)-Methyl-2-(3-benzoylphenyl)propanoate is 268.11 g/mol.
Where can I buy (S)-Methyl-2-(3-benzoylphenyl)propanoate?
You can request a quote for (S)-Methyl-2-(3-benzoylphenyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-Methyl-2-(3-benzoylphenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-Methyl-2-(3-benzoylphenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.