2-Propenoic acid, chloromethyl ester
TL;DR: 2-Propenoic acid, chloromethyl ester (CAS 27550-72-7) is a chemical compound with molecular formula C4H5ClO2 and molecular weight 120.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
chloromethyl prop-2-enoate
Also Known As: a-Chlormethylacrylat, chloromethyl prop-2-enoate, Chloromethyl propenoate, Chloromethyl acrylate #, 2-Propenoic acid, chloromethyl ester
| Molecular Formula | C4H5ClO2 |
|---|---|
| Molecular Weight | 120.00 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 119.99781 |
| Heavy Atoms | 7 |
| Complexity | 79.0 |
Chemical Identifiers
| CAS Number | 27550-72-7 |
|---|---|
| SMILES | C=CC(=O)OCCl |
| InChIKey | KMKLIOQYUUPLMA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Propenoic acid, chloromethyl ester (CAS 27550-72-7), with molecular formula C4H5ClO2 and molecular weight 120.00 g/mol. IUPAC: chloromethyl prop-2-enoate.
Chemical Property Profile of 2-Propenoic acid, chloromethyl ester
Property Insights of 2-Propenoic acid, chloromethyl ester
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid, chloromethyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Propenoic acid, chloromethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenoic acid, chloromethyl ester has 0 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 2-Propenoic acid, chloromethyl ester?
The CAS number of 2-Propenoic acid, chloromethyl ester is 27550-72-7.
What is the molecular formula of 2-Propenoic acid, chloromethyl ester?
The molecular formula of 2-Propenoic acid, chloromethyl ester is C4H5ClO2.
What is the molecular weight of 2-Propenoic acid, chloromethyl ester?
The molecular weight of 2-Propenoic acid, chloromethyl ester is 120.00 g/mol.
Where can I buy 2-Propenoic acid, chloromethyl ester?
You can request a quote for 2-Propenoic acid, chloromethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenoic acid, chloromethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, chloromethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.