Propanoic acid, 3-chloro, 2-propenyl ester
TL;DR: Propanoic acid, 3-chloro, 2-propenyl ester (CAS 62886-12-8) is a chemical compound with molecular formula C6H9ClO2 and molecular weight 148.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 3-chloropropanoate
Also Known As: allyl 3-chloropropionate, allyl beta-chloropropionate, prop-2-enyl 3-chloropropanoate, Propanoic acid, 3-chloro, 2-propenyl ester, PROP-2-EN-1-YL 3-CHLOROPROPANOATE
| Molecular Formula | C6H9ClO2 |
|---|---|
| Molecular Weight | 148.03 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 148.02911 |
| Heavy Atoms | 9 |
| Complexity | 101.0 |
Chemical Identifiers
| CAS Number | 62886-12-8 |
|---|---|
| SMILES | C=CCOC(=O)CCCl |
| InChIKey | CTPKUPQTROHREC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanoic acid, 3-chloro, 2-propenyl ester (CAS 62886-12-8), with molecular formula C6H9ClO2 and molecular weight 148.03 g/mol. IUPAC: prop-2-enyl 3-chloropropanoate.
Chemical Property Profile of Propanoic acid, 3-chloro, 2-propenyl ester
Property Insights of Propanoic acid, 3-chloro, 2-propenyl ester
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanoic acid, 3-chloro, 2-propenyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Propanoic acid, 3-chloro, 2-propenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanoic acid, 3-chloro, 2-propenyl 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 Propanoic acid, 3-chloro, 2-propenyl ester?
The CAS number of Propanoic acid, 3-chloro, 2-propenyl ester is 62886-12-8.
What is the molecular formula of Propanoic acid, 3-chloro, 2-propenyl ester?
The molecular formula of Propanoic acid, 3-chloro, 2-propenyl ester is C6H9ClO2.
What is the molecular weight of Propanoic acid, 3-chloro, 2-propenyl ester?
The molecular weight of Propanoic acid, 3-chloro, 2-propenyl ester is 148.03 g/mol.
Where can I buy Propanoic acid, 3-chloro, 2-propenyl ester?
You can request a quote for Propanoic acid, 3-chloro, 2-propenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanoic acid, 3-chloro, 2-propenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 3-chloro, 2-propenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.