Benzoic acid, 2-fluoro-, 2-(4-bromophenyl)-2-oxoethyl ester
TL;DR: Benzoic acid, 2-fluoro-, 2-(4-bromophenyl)-2-oxoethyl ester (CAS 1645-30-3) is a chemical compound with molecular formula C15H10BrFO3 and molecular weight 335.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-bromophenyl)-2-oxoethyl] 2-fluorobenzoate
Also Known As: [2-(4-bromophenyl)-2-oxoethyl] 2-fluorobenzoate, 2-(4-bromophenyl)-2-oxoethyl 2-fluorobenzoate, Benzoic acid, 2-fluoro-, 2-(4-bromophenyl)-2-oxoethyl ester, T0509-2346
| Molecular Formula | C15H10BrFO3 |
|---|---|
| Molecular Weight | 335.98 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.97974 |
| Heavy Atoms | 20 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 1645-30-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)OCC(=O)C2=CC=C(C=C2)Br)F |
| InChIKey | IHLBMPXALSKGPK-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 2-fluoro-, 2-(4-bromophenyl)-2-oxoethyl ester (CAS 1645-30-3), with molecular formula C15H10BrFO3 and molecular weight 335.98 g/mol. IUPAC: [2-(4-bromophenyl)-2-oxoethyl] 2-fluorobenzoate.
Chemical Property Profile of Benzoic acid, 2-fluoro-, 2-(4-bromophenyl)-2-oxoethyl ester
Property Insights of Benzoic acid, 2-fluoro-, 2-(4-bromophenyl)-2-oxoethyl ester
The XLogP value of 4.0 indicates that Benzoic acid, 2-fluoro-, 2-(4-bromophenyl)-2-oxoethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, Benzoic acid, 2-fluoro-, 2-(4-bromophenyl)-2-oxoethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2-fluoro-, 2-(4-bromophenyl)-2-oxoethyl ester has 0 hydrogen bond donor(s) and 4 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, 2-fluoro-, 2-(4-bromophenyl)-2-oxoethyl ester?
The CAS number of Benzoic acid, 2-fluoro-, 2-(4-bromophenyl)-2-oxoethyl ester is 1645-30-3.
What is the molecular formula of Benzoic acid, 2-fluoro-, 2-(4-bromophenyl)-2-oxoethyl ester?
The molecular formula of Benzoic acid, 2-fluoro-, 2-(4-bromophenyl)-2-oxoethyl ester is C15H10BrFO3.
What is the molecular weight of Benzoic acid, 2-fluoro-, 2-(4-bromophenyl)-2-oxoethyl ester?
The molecular weight of Benzoic acid, 2-fluoro-, 2-(4-bromophenyl)-2-oxoethyl ester is 335.98 g/mol.
Where can I buy Benzoic acid, 2-fluoro-, 2-(4-bromophenyl)-2-oxoethyl ester?
You can request a quote for Benzoic acid, 2-fluoro-, 2-(4-bromophenyl)-2-oxoethyl 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, 2-fluoro-, 2-(4-bromophenyl)-2-oxoethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-fluoro-, 2-(4-bromophenyl)-2-oxoethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.