2-Bromomethyl-3-phenyl-acrylic acid methyl ester
TL;DR: 2-Bromomethyl-3-phenyl-acrylic acid methyl ester (CAS 103547-97-3) is a chemical compound with molecular formula C11H11BrO2 and molecular weight 253.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(bromomethyl)-3-phenylprop-2-enoate
Also Known As: Methyl 2-(bromomethyl)-3-phenylacrylate, methyl 2-(bromomethyl)-3-phenylprop-2-enoate, 2-Bromomethyl-3-phenyl-acrylic acid methyl ester, 2-Propenoic acid, 2-(bromomethyl)-3-phenyl-, methyl ester, (Z)-, 2-Propenoic acid, 2-(bromomethyl)-3-phenyl-,methyl ester
| Molecular Formula | C11H11BrO2 |
|---|---|
| Molecular Weight | 253.99 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 253.99425 |
| Heavy Atoms | 14 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 103547-97-3 |
|---|---|
| SMILES | COC(=O)C(=CC1=CC=CC=C1)CBr |
| InChIKey | GIVCLXFKVGOEAT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromomethyl-3-phenyl-acrylic acid methyl ester (CAS 103547-97-3), with molecular formula C11H11BrO2 and molecular weight 253.99 g/mol. IUPAC: methyl 2-(bromomethyl)-3-phenylprop-2-enoate.
Chemical Property Profile of 2-Bromomethyl-3-phenyl-acrylic acid methyl ester
Property Insights of 2-Bromomethyl-3-phenyl-acrylic acid methyl ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromomethyl-3-phenyl-acrylic acid methyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Bromomethyl-3-phenyl-acrylic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromomethyl-3-phenyl-acrylic acid methyl ester 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 2-Bromomethyl-3-phenyl-acrylic acid methyl ester?
The CAS number of 2-Bromomethyl-3-phenyl-acrylic acid methyl ester is 103547-97-3.
What is the molecular formula of 2-Bromomethyl-3-phenyl-acrylic acid methyl ester?
The molecular formula of 2-Bromomethyl-3-phenyl-acrylic acid methyl ester is C11H11BrO2.
What is the molecular weight of 2-Bromomethyl-3-phenyl-acrylic acid methyl ester?
The molecular weight of 2-Bromomethyl-3-phenyl-acrylic acid methyl ester is 253.99 g/mol.
Where can I buy 2-Bromomethyl-3-phenyl-acrylic acid methyl ester?
You can request a quote for 2-Bromomethyl-3-phenyl-acrylic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromomethyl-3-phenyl-acrylic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromomethyl-3-phenyl-acrylic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.