Benzoic acid, 4-bromo-, 2-propenyl ester
TL;DR: Benzoic acid, 4-bromo-, 2-propenyl ester (CAS 6420-77-5) is a chemical compound with molecular formula C10H9BrO2 and molecular weight 239.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 4-bromobenzoate
Also Known As: allyl p-bromobenzoate, Allyl 4-bromobenzoate, Allyl 4-bromobenzoate #, prop-2-enyl 4-bromobenzoate, p-Brombenzoesaeure-allylester
| Molecular Formula | C10H9BrO2 |
|---|---|
| Molecular Weight | 239.98 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 239.97859 |
| Heavy Atoms | 13 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 6420-77-5 |
|---|---|
| SMILES | C=CCOC(=O)C1=CC=C(C=C1)Br |
| InChIKey | JGBCXOZVMIKZCR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 4-bromo-, 2-propenyl ester (CAS 6420-77-5), with molecular formula C10H9BrO2 and molecular weight 239.98 g/mol. IUPAC: prop-2-enyl 4-bromobenzoate.
Chemical Property Profile of Benzoic acid, 4-bromo-, 2-propenyl ester
Property Insights of Benzoic acid, 4-bromo-, 2-propenyl ester
The XLogP value of 3.1 indicates that Benzoic acid, 4-bromo-, 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, 4-bromo-, 2-propenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-bromo-, 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, 4-bromo-, 2-propenyl ester?
The CAS number of Benzoic acid, 4-bromo-, 2-propenyl ester is 6420-77-5.
What is the molecular formula of Benzoic acid, 4-bromo-, 2-propenyl ester?
The molecular formula of Benzoic acid, 4-bromo-, 2-propenyl ester is C10H9BrO2.
What is the molecular weight of Benzoic acid, 4-bromo-, 2-propenyl ester?
The molecular weight of Benzoic acid, 4-bromo-, 2-propenyl ester is 239.98 g/mol.
Where can I buy Benzoic acid, 4-bromo-, 2-propenyl ester?
You can request a quote for Benzoic acid, 4-bromo-, 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, 4-bromo-, 2-propenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-bromo-, 2-propenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.