3-(Bromomethyl)phenyl benzoate
TL;DR: 3-(Bromomethyl)phenyl benzoate (CAS 129250-89-1) 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.
[3-(bromomethyl)phenyl] benzoate
Also Known As: 3-(bromomethyl)phenyl benzoate, Not Available, [3-(bromomethyl)phenyl] benzoate, benzoic acid 3-bromomethylphenyl ester, Benzoic acid 3-bromomethyl-phenyl ester
| Molecular Formula | C14H11BrO2 |
|---|---|
| Molecular Weight | 289.99 g/mol |
| LogP | 3.8007 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 289.99423 |
| Heavy Atoms | 17 |
| Complexity | 508.64047 |
Chemical Identifiers
| CAS Number | 129250-89-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)CBr |
Product Overview
3-(Bromomethyl)phenyl benzoate (CAS 129250-89-1), with molecular formula C14H11BrO2 and molecular weight 289.99 g/mol. IUPAC: [3-(bromomethyl)phenyl] benzoate.
Chemical Property Profile of 3-(Bromomethyl)phenyl benzoate
Property Insights of 3-(Bromomethyl)phenyl benzoate
The XLogP value of 3.8007 indicates that 3-(Bromomethyl)phenyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3-(Bromomethyl)phenyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Bromomethyl)phenyl benzoate 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 3-(Bromomethyl)phenyl benzoate?
The CAS number of 3-(Bromomethyl)phenyl benzoate is 129250-89-1.
What is the molecular formula of 3-(Bromomethyl)phenyl benzoate?
The molecular formula of 3-(Bromomethyl)phenyl benzoate is C14H11BrO2.
What is the molecular weight of 3-(Bromomethyl)phenyl benzoate?
The molecular weight of 3-(Bromomethyl)phenyl benzoate is 289.99 g/mol.
Where can I buy 3-(Bromomethyl)phenyl benzoate?
You can request a quote for 3-(Bromomethyl)phenyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Bromomethyl)phenyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(Bromomethyl)phenyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.