Methyl 4-bromocinnamate
TL;DR: Methyl 4-bromocinnamate (CAS 36788-39-3) is a chemical compound with molecular formula C10H9BrO2 and molecular weight 239.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-3-(4-bromophenyl)prop-2-enoate
Also Known As: methyl 3-(4-bromophenyl)acrylate, Methyl trans-4-bromocinnamate, Methyl 4-bromocinnamate, METHYL (E)-3-(4-BROMOPHENYL)ACRYLATE, methylbromophenylacrylate
| Molecular Formula | C10H9BrO2 |
|---|---|
| Molecular Weight | 239.98 g/mol |
| LogP | 2.6353 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.97859 |
| Heavy Atoms | 13 |
| Complexity | 314.20157 |
Chemical Identifiers
| CAS Number | 36788-39-3 |
|---|---|
| SMILES | COC(=O)/C=C/C1=CC=C(C=C1)Br |
Product Overview
Methyl 4-bromocinnamate (CAS 36788-39-3), with molecular formula C10H9BrO2 and molecular weight 239.98 g/mol. IUPAC: methyl (E)-3-(4-bromophenyl)prop-2-enoate.
Chemical Property Profile of Methyl 4-bromocinnamate
Property Insights of Methyl 4-bromocinnamate
The XLogP value of 2.6353 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-bromocinnamate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 4-bromocinnamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-bromocinnamate 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-bromocinnamate?
The CAS number of Methyl 4-bromocinnamate is 36788-39-3.
What is the molecular formula of Methyl 4-bromocinnamate?
The molecular formula of Methyl 4-bromocinnamate is C10H9BrO2.
What is the molecular weight of Methyl 4-bromocinnamate?
The molecular weight of Methyl 4-bromocinnamate is 239.98 g/mol.
Where can I buy Methyl 4-bromocinnamate?
You can request a quote for Methyl 4-bromocinnamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-bromocinnamate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-bromocinnamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.