Benzoic acid, 3-chloro, 2-propenyl ester
TL;DR: Benzoic acid, 3-chloro, 2-propenyl ester (CAS 89671-05-6) is a chemical compound with molecular formula C10H9ClO2 and molecular weight 196.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 3-chlorobenzoate
Also Known As: Benzoic acid, 3-chloro, 2-propenyl ester, prop-2-enyl 3-chlorobenzoate, 3-Chlorobenzoic acid allyl ester, Benzoic acid, 3-chloro-, 2-propenyl ester, PROP-2-EN-1-YL 3-CHLOROBENZOATE
| Molecular Formula | C10H9ClO2 |
|---|---|
| Molecular Weight | 196.03 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 196.02911 |
| Heavy Atoms | 13 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 89671-05-6 |
|---|---|
| SMILES | C=CCOC(=O)C1=CC(=CC=C1)Cl |
| InChIKey | GGYGSYXSTMFGRY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 3-chloro, 2-propenyl ester (CAS 89671-05-6), with molecular formula C10H9ClO2 and molecular weight 196.03 g/mol. IUPAC: prop-2-enyl 3-chlorobenzoate.
Chemical Property Profile of Benzoic acid, 3-chloro, 2-propenyl ester
Property Insights of Benzoic acid, 3-chloro, 2-propenyl ester
The XLogP value of 3.5 indicates that Benzoic acid, 3-chloro, 2-propenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Benzoic acid, 3-chloro, 2-propenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic 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 Benzoic acid, 3-chloro, 2-propenyl ester?
The CAS number of Benzoic acid, 3-chloro, 2-propenyl ester is 89671-05-6.
What is the molecular formula of Benzoic acid, 3-chloro, 2-propenyl ester?
The molecular formula of Benzoic acid, 3-chloro, 2-propenyl ester is C10H9ClO2.
What is the molecular weight of Benzoic acid, 3-chloro, 2-propenyl ester?
The molecular weight of Benzoic acid, 3-chloro, 2-propenyl ester is 196.03 g/mol.
Where can I buy Benzoic acid, 3-chloro, 2-propenyl ester?
You can request a quote for Benzoic 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 Benzoic acid, 3-chloro, 2-propenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3-chloro, 2-propenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.