Methyl 2-(3-chlorophenyl)-4-oxo-4-phenylbutanoate
TL;DR: Methyl 2-(3-chlorophenyl)-4-oxo-4-phenylbutanoate (CAS 344280-08-6) 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.
methyl 2-(3-chlorophenyl)-4-oxo-4-phenylbutanoate
Also Known As: methyl 2-(3-chlorophenyl)-4-oxo-4-phenylbutanoate, 7J-516S, methyl2-(3-chlorophenyl)-4-oxo-4-phenylbutanoate, methyl 2-(3-chlorophenyl)-4-oxo-4-phenyl-butanoate
| Molecular Formula | C17H15ClO3 |
|---|---|
| Molecular Weight | 302.07 g/mol |
| LogP | 3.8696 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 302.07098 |
| Heavy Atoms | 21 |
| Complexity | 637.4933 |
Chemical Identifiers
| CAS Number | 344280-08-6 |
|---|---|
| SMILES | COC(=O)C(CC(=O)C1=CC=CC=C1)C2=CC(=CC=C2)Cl |
Product Overview
Methyl 2-(3-chlorophenyl)-4-oxo-4-phenylbutanoate (CAS 344280-08-6), with molecular formula C17H15ClO3 and molecular weight 302.07 g/mol. IUPAC: methyl 2-(3-chlorophenyl)-4-oxo-4-phenylbutanoate.
Chemical Property Profile of Methyl 2-(3-chlorophenyl)-4-oxo-4-phenylbutanoate
Property Insights of Methyl 2-(3-chlorophenyl)-4-oxo-4-phenylbutanoate
The XLogP value of 3.8696 indicates that Methyl 2-(3-chlorophenyl)-4-oxo-4-phenylbutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, Methyl 2-(3-chlorophenyl)-4-oxo-4-phenylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(3-chlorophenyl)-4-oxo-4-phenylbutanoate 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 Methyl 2-(3-chlorophenyl)-4-oxo-4-phenylbutanoate?
The CAS number of Methyl 2-(3-chlorophenyl)-4-oxo-4-phenylbutanoate is 344280-08-6.
What is the molecular formula of Methyl 2-(3-chlorophenyl)-4-oxo-4-phenylbutanoate?
The molecular formula of Methyl 2-(3-chlorophenyl)-4-oxo-4-phenylbutanoate is C17H15ClO3.
What is the molecular weight of Methyl 2-(3-chlorophenyl)-4-oxo-4-phenylbutanoate?
The molecular weight of Methyl 2-(3-chlorophenyl)-4-oxo-4-phenylbutanoate is 302.07 g/mol.
Where can I buy Methyl 2-(3-chlorophenyl)-4-oxo-4-phenylbutanoate?
You can request a quote for Methyl 2-(3-chlorophenyl)-4-oxo-4-phenylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(3-chlorophenyl)-4-oxo-4-phenylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(3-chlorophenyl)-4-oxo-4-phenylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.