Methyl 2-(bromomethyl)-3-phenylacrylate
TL;DR: Methyl 2-(bromomethyl)-3-phenylacrylate (CAS 103548-07-8) 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 (Z)-2-(bromomethyl)-3-phenylprop-2-enoate
Also Known As: Methyl 2-(bromomethyl)-3-phenylacrylate, 5027AE, methyl (Z)-2-(bromomethyl)-3-phenylprop-2-enoate, Methyl2-(bromomethyl)-3-phenylacrylate, methyl (2Z)-2-(bromomethyl)-3-phenylprop-2-enoate
| Molecular Formula | C11H11BrO2 |
|---|---|
| Molecular Weight | 253.99 g/mol |
| LogP | 2.6379 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 253.99425 |
| Heavy Atoms | 14 |
| Complexity | 330.40057 |
Chemical Identifiers
| CAS Number | 103548-07-8 |
|---|---|
| SMILES | COC(=O)/C(=C/C1=CC=CC=C1)/CBr |
Product Overview
Methyl 2-(bromomethyl)-3-phenylacrylate (CAS 103548-07-8), with molecular formula C11H11BrO2 and molecular weight 253.99 g/mol. IUPAC: methyl (Z)-2-(bromomethyl)-3-phenylprop-2-enoate.
Chemical Property Profile of Methyl 2-(bromomethyl)-3-phenylacrylate
Property Insights of Methyl 2-(bromomethyl)-3-phenylacrylate
The XLogP value of 2.6379 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(bromomethyl)-3-phenylacrylate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 2-(bromomethyl)-3-phenylacrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(bromomethyl)-3-phenylacrylate 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 2-(bromomethyl)-3-phenylacrylate?
The CAS number of Methyl 2-(bromomethyl)-3-phenylacrylate is 103548-07-8.
What is the molecular formula of Methyl 2-(bromomethyl)-3-phenylacrylate?
The molecular formula of Methyl 2-(bromomethyl)-3-phenylacrylate is C11H11BrO2.
What is the molecular weight of Methyl 2-(bromomethyl)-3-phenylacrylate?
The molecular weight of Methyl 2-(bromomethyl)-3-phenylacrylate is 253.99 g/mol.
Where can I buy Methyl 2-(bromomethyl)-3-phenylacrylate?
You can request a quote for Methyl 2-(bromomethyl)-3-phenylacrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(bromomethyl)-3-phenylacrylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(bromomethyl)-3-phenylacrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.