![Methyl 4-[2-(4-bromophenyl)ethenyl]benzoate structure](/static/products/6724/67249-03-0.webp)
Methyl 4-[2-(4-bromophenyl)ethenyl]benzoate
TL;DR: Methyl 4-[2-(4-bromophenyl)ethenyl]benzoate (CAS 67249-03-0) is a chemical compound with molecular formula C16H13BrO2 and molecular weight 316.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[2-(4-bromophenyl)ethenyl]benzoate
Also Known As: methyl 4-[2-(4-bromophenyl)ethenyl]benzoate
| Molecular Formula | C16H13BrO2 |
|---|---|
| Molecular Weight | 316.01 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 316.0099 |
| Heavy Atoms | 19 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 67249-03-0 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C=CC2=CC=C(C=C2)Br |
| InChIKey | HBSABNZEDAUSDJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 4-[2-(4-bromophenyl)ethenyl]benzoate (CAS 67249-03-0), with molecular formula C16H13BrO2 and molecular weight 316.01 g/mol. IUPAC: methyl 4-[2-(4-bromophenyl)ethenyl]benzoate.
Chemical Property Profile of Methyl 4-[2-(4-bromophenyl)ethenyl]benzoate
Property Insights of Methyl 4-[2-(4-bromophenyl)ethenyl]benzoate
The XLogP value of 5.2 indicates that Methyl 4-[2-(4-bromophenyl)ethenyl]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-[2-(4-bromophenyl)ethenyl]benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-[2-(4-bromophenyl)ethenyl]benzoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 4-[2-(4-bromophenyl)ethenyl]benzoate?
The CAS number of Methyl 4-[2-(4-bromophenyl)ethenyl]benzoate is 67249-03-0.
What is the molecular formula of Methyl 4-[2-(4-bromophenyl)ethenyl]benzoate?
The molecular formula of Methyl 4-[2-(4-bromophenyl)ethenyl]benzoate is C16H13BrO2.
What is the molecular weight of Methyl 4-[2-(4-bromophenyl)ethenyl]benzoate?
The molecular weight of Methyl 4-[2-(4-bromophenyl)ethenyl]benzoate is 316.01 g/mol.
Where can I buy Methyl 4-[2-(4-bromophenyl)ethenyl]benzoate?
You can request a quote for Methyl 4-[2-(4-bromophenyl)ethenyl]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-[2-(4-bromophenyl)ethenyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[2-(4-bromophenyl)ethenyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.