Methyl alpha-acetyl-2-chlorobenzenepropanoate
TL;DR: Methyl alpha-acetyl-2-chlorobenzenepropanoate (CAS 676348-55-3) is a chemical compound with molecular formula C12H13ClO3 and molecular weight 240.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(2-chlorophenyl)methyl]-3-oxobutanoate
Also Known As: Methyl 2-(2-chlorobenzyl)-3-oxobutanoate, methyl 2-[(2-chlorophenyl)methyl]-3-oxobutanoate, Methyl2-(2-chlorobenzyl)-3-oxobutanoate, 2-(2-Chloro-benzyl)-3-oxo-butyric acid methyl ester, Methyl alpha-acetyl-2-chlorobenzenepropanoate
| Molecular Formula | C12H13ClO3 |
|---|---|
| Molecular Weight | 240.06 g/mol |
| LogP | 2.2607 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 240.05533 |
| Heavy Atoms | 16 |
| Complexity | 401.00528 |
Chemical Identifiers
| CAS Number | 676348-55-3 |
|---|---|
| SMILES | CC(=O)C(CC1=CC=CC=C1Cl)C(=O)OC |
Product Overview
Methyl alpha-acetyl-2-chlorobenzenepropanoate (CAS 676348-55-3), with molecular formula C12H13ClO3 and molecular weight 240.06 g/mol. IUPAC: methyl 2-[(2-chlorophenyl)methyl]-3-oxobutanoate.
Chemical Property Profile of Methyl alpha-acetyl-2-chlorobenzenepropanoate
Property Insights of Methyl alpha-acetyl-2-chlorobenzenepropanoate
The XLogP value of 2.2607 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl alpha-acetyl-2-chlorobenzenepropanoate. With a topological polar surface area (TPSA) of 43.37 Ų, Methyl alpha-acetyl-2-chlorobenzenepropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl alpha-acetyl-2-chlorobenzenepropanoate 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 alpha-acetyl-2-chlorobenzenepropanoate?
The CAS number of Methyl alpha-acetyl-2-chlorobenzenepropanoate is 676348-55-3.
What is the molecular formula of Methyl alpha-acetyl-2-chlorobenzenepropanoate?
The molecular formula of Methyl alpha-acetyl-2-chlorobenzenepropanoate is C12H13ClO3.
What is the molecular weight of Methyl alpha-acetyl-2-chlorobenzenepropanoate?
The molecular weight of Methyl alpha-acetyl-2-chlorobenzenepropanoate is 240.06 g/mol.
Where can I buy Methyl alpha-acetyl-2-chlorobenzenepropanoate?
You can request a quote for Methyl alpha-acetyl-2-chlorobenzenepropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl alpha-acetyl-2-chlorobenzenepropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl alpha-acetyl-2-chlorobenzenepropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.