Benzyl 3-bromobenzoate
TL;DR: Benzyl 3-bromobenzoate (CAS 339094-04-1) is a chemical compound with molecular formula C14H11BrO2 and molecular weight 289.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 3-bromobenzoate
Also Known As: Benzyl 3-bromobenzoate, 3-Bromo-benzoic acid benzyl ester, Benzyl 3-Bromo-benzoate, Benzyl 3-bromobenzoate #, 3-Bromo-benzoicacidbenzylester
| Molecular Formula | C14H11BrO2 |
|---|---|
| Molecular Weight | 289.99 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 289.99423 |
| Heavy Atoms | 17 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 339094-04-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)C2=CC(=CC=C2)Br |
| InChIKey | CSKNCPXUVGBSDG-UHFFFAOYSA-N |
Product Overview
Benzyl 3-bromobenzoate (CAS 339094-04-1), with molecular formula C14H11BrO2 and molecular weight 289.99 g/mol. IUPAC: benzyl 3-bromobenzoate.
Chemical Property Profile of Benzyl 3-bromobenzoate
Property Insights of Benzyl 3-bromobenzoate
The XLogP value of 4.7 indicates that Benzyl 3-bromobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Benzyl 3-bromobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 3-bromobenzoate 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 Benzyl 3-bromobenzoate?
The CAS number of Benzyl 3-bromobenzoate is 339094-04-1.
What is the molecular formula of Benzyl 3-bromobenzoate?
The molecular formula of Benzyl 3-bromobenzoate is C14H11BrO2.
What is the molecular weight of Benzyl 3-bromobenzoate?
The molecular weight of Benzyl 3-bromobenzoate is 289.99 g/mol.
Where can I buy Benzyl 3-bromobenzoate?
You can request a quote for Benzyl 3-bromobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 3-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 3-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.