2-Bromobenzoic acid, phenyl ester
TL;DR: 2-Bromobenzoic acid, phenyl ester (CAS 1989-22-6) is a chemical compound with molecular formula C13H9BrO2 and molecular weight 275.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 2-bromobenzoate
Also Known As: phenyl 2-bromobenzoate, 2-Bromobenzoic acid, phenyl ester, 2-Bromo-benzoic acid phenyl ester, 2-Bromobenzoic acid phenyl ester, Benzoic acid, 2-bromo-, phenyl ester
| Molecular Formula | C13H9BrO2 |
|---|---|
| Molecular Weight | 275.98 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.97858 |
| Heavy Atoms | 16 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 1989-22-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2Br |
| InChIKey | SNOWYPDEJVKXAG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromobenzoic acid, phenyl ester (CAS 1989-22-6), with molecular formula C13H9BrO2 and molecular weight 275.98 g/mol. IUPAC: phenyl 2-bromobenzoate.
Chemical Property Profile of 2-Bromobenzoic acid, phenyl ester
Property Insights of 2-Bromobenzoic acid, phenyl ester
The XLogP value of 3.8 indicates that 2-Bromobenzoic acid, phenyl 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, 2-Bromobenzoic acid, phenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromobenzoic acid, phenyl 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-Bromobenzoic acid, phenyl ester?
The CAS number of 2-Bromobenzoic acid, phenyl ester is 1989-22-6.
What is the molecular formula of 2-Bromobenzoic acid, phenyl ester?
The molecular formula of 2-Bromobenzoic acid, phenyl ester is C13H9BrO2.
What is the molecular weight of 2-Bromobenzoic acid, phenyl ester?
The molecular weight of 2-Bromobenzoic acid, phenyl ester is 275.98 g/mol.
Where can I buy 2-Bromobenzoic acid, phenyl ester?
You can request a quote for 2-Bromobenzoic acid, phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromobenzoic acid, phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromobenzoic acid, phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.