2-Acetyl-3-(2-chlorophenyl)acrylic acid methyl ester
TL;DR: 2-Acetyl-3-(2-chlorophenyl)acrylic acid methyl ester (CAS 1170036-31-3) is a chemical compound with molecular formula C12H11ClO3 and molecular weight 238.03967 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (2Z)-2-[(2-chlorophenyl)methylidene]-3-oxobutanoate
Also Known As: 2-Acetyl-3-(2-chlorophenyl)-acrylacidmethylester, Methyl 2-(2-chlorobenzylidene)-3-oxobutanoate, 2-Acetyl-3-(2-chlorophenyl)acrylic acid methyl ester, 593A468, 2-(2-Chloro-benzylidene)-3-oxo-butyric acid methyl ester
Technical Specifications
| Molecular Formula | C12H11ClO3 |
| Molecular Weight | 238.03967 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 238.03967 Da |
| Heavy Atoms | 16 |
| Complexity | 309.0 |
| SMILES | CC(=O)/C(=C/C1=CC=CC=C1Cl)/C(=O)OC |
| InChIKey | MNMKWCPLHQYQLU-YFHOEESVSA-N |
Chemical Property Profile of 2-Acetyl-3-(2-chlorophenyl)acrylic acid methyl ester
Property Insights of 2-Acetyl-3-(2-chlorophenyl)acrylic acid methyl ester
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Acetyl-3-(2-chlorophenyl)acrylic acid methyl ester. With a topological polar surface area (TPSA) of 43.4 Ų, 2-Acetyl-3-(2-chlorophenyl)acrylic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Acetyl-3-(2-chlorophenyl)acrylic acid methyl ester 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
What is the CAS number of 2-Acetyl-3-(2-chlorophenyl)acrylic acid methyl ester?
The CAS number of 2-Acetyl-3-(2-chlorophenyl)acrylic acid methyl ester is 1170036-31-3.
What is the molecular formula of 2-Acetyl-3-(2-chlorophenyl)acrylic acid methyl ester?
The molecular formula of 2-Acetyl-3-(2-chlorophenyl)acrylic acid methyl ester is C12H11ClO3.
What is the molecular weight of 2-Acetyl-3-(2-chlorophenyl)acrylic acid methyl ester?
The molecular weight of 2-Acetyl-3-(2-chlorophenyl)acrylic acid methyl ester is 238.03967 g/mol.
Where can I buy 2-Acetyl-3-(2-chlorophenyl)acrylic acid methyl ester?
You can request a quote for 2-Acetyl-3-(2-chlorophenyl)acrylic acid methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Acetyl-3-(2-chlorophenyl)acrylic acid methyl ester?
Yes, CoreyChem provides custom synthesis services for 2-Acetyl-3-(2-chlorophenyl)acrylic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.