Allyl chloroacetate
TL;DR: Allyl chloroacetate (CAS 2916-14-5) is a chemical compound with molecular formula C5H7ClO2 and molecular weight 134.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 2-chloroacetate
Also Known As: Allyl chloroacetate, Allyl 2-chloroacetate, Chloroacetic acid allyl ester, Allylchloroacetate, prop-2-enyl 2-chloroacetate
| Molecular Formula | C5H7ClO2 |
|---|---|
| Molecular Weight | 134.01 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 134.01346 |
| Heavy Atoms | 8 |
| Complexity | 90.0 |
Chemical Identifiers
| CAS Number | 2916-14-5 |
|---|---|
| SMILES | C=CCOC(=O)CCl |
| InChIKey | VMBJJCDVORDOCF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Allyl chloroacetate (CAS 2916-14-5), with molecular formula C5H7ClO2 and molecular weight 134.01 g/mol. IUPAC: prop-2-enyl 2-chloroacetate.
Chemical Property Profile of Allyl chloroacetate
Property Insights of Allyl chloroacetate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allyl chloroacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Allyl chloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allyl chloroacetate 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 Allyl chloroacetate?
The CAS number of Allyl chloroacetate is 2916-14-5.
What is the molecular formula of Allyl chloroacetate?
The molecular formula of Allyl chloroacetate is C5H7ClO2.
What is the molecular weight of Allyl chloroacetate?
The molecular weight of Allyl chloroacetate is 134.01 g/mol.
Where can I buy Allyl chloroacetate?
You can request a quote for Allyl chloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allyl chloroacetate?
Yes, KEHONG BIO provides custom synthesis services for Allyl chloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.