Methyl 4-(3-bromophenyl)benzoate
TL;DR: Methyl 4-(3-bromophenyl)benzoate (CAS 89900-91-4) 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.
methyl 4-(3-bromophenyl)benzoate
Also Known As: methyl 4-(3-bromophenyl)benzoate, Methyl 3'-bromo-biphenyl-4-carboxylate, methyl 3'-bromobiphenyl-4-carboxylate, methyl 3'-bromo-[1,1'-biphenyl]-4-carboxylate, 3'-Bromobiphenyl-4-carboxylic acid methyl ester
| Molecular Formula | C14H11BrO2 |
|---|---|
| Molecular Weight | 289.99 g/mol |
| LogP | 3.9027 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 289.99423 |
| Heavy Atoms | 17 |
| Complexity | 532.1734 |
Chemical Identifiers
| CAS Number | 89900-91-4 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C2=CC(=CC=C2)Br |
Product Overview
Methyl 4-(3-bromophenyl)benzoate (CAS 89900-91-4), with molecular formula C14H11BrO2 and molecular weight 289.99 g/mol. IUPAC: methyl 4-(3-bromophenyl)benzoate.
Chemical Property Profile of Methyl 4-(3-bromophenyl)benzoate
Property Insights of Methyl 4-(3-bromophenyl)benzoate
The XLogP value of 3.9027 indicates that Methyl 4-(3-bromophenyl)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, Methyl 4-(3-bromophenyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-(3-bromophenyl)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 Methyl 4-(3-bromophenyl)benzoate?
The CAS number of Methyl 4-(3-bromophenyl)benzoate is 89900-91-4.
What is the molecular formula of Methyl 4-(3-bromophenyl)benzoate?
The molecular formula of Methyl 4-(3-bromophenyl)benzoate is C14H11BrO2.
What is the molecular weight of Methyl 4-(3-bromophenyl)benzoate?
The molecular weight of Methyl 4-(3-bromophenyl)benzoate is 289.99 g/mol.
Where can I buy Methyl 4-(3-bromophenyl)benzoate?
You can request a quote for Methyl 4-(3-bromophenyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(3-bromophenyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(3-bromophenyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.