(E)-methyl 2-(2-(bromomethyl)phenyl)-3-methoxyacrylate
TL;DR: (E)-methyl 2-(2-(bromomethyl)phenyl)-3-methoxyacrylate (CAS 107048-59-9) is a chemical compound with molecular formula C12H13BrO3 and molecular weight 284.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-2-[2-(bromomethyl)phenyl]-3-methoxyprop-2-enoate
Also Known As: (E)-methyl 2-(2-(bromomethyl)phenyl)-3-methoxyacrylate, Methyl 2-(2-bromomethylphenyl)-3-methoxyacrylate, (E)-3-Methoxy-2-(2-broMoMethylphenyl)propenoic acid Methyl ester, Methyl (E)-2-[2-(Bromomethyl)phenyl]-3-methoxyacrylate, I06-1536
| Molecular Formula | C12H13BrO3 |
|---|---|
| Molecular Weight | 284.00 g/mol |
| LogP | 2.7418 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 284.00482 |
| Heavy Atoms | 16 |
| Complexity | 399.00528 |
Chemical Identifiers
| CAS Number | 107048-59-9 |
|---|---|
| SMILES | CO/C=C(\C1=CC=CC=C1CBr)/C(=O)OC |
Product Overview
(E)-methyl 2-(2-(bromomethyl)phenyl)-3-methoxyacrylate (CAS 107048-59-9), with molecular formula C12H13BrO3 and molecular weight 284.00 g/mol. IUPAC: methyl (E)-2-[2-(bromomethyl)phenyl]-3-methoxyprop-2-enoate.
Chemical Property Profile of (E)-methyl 2-(2-(bromomethyl)phenyl)-3-methoxyacrylate
Property Insights of (E)-methyl 2-(2-(bromomethyl)phenyl)-3-methoxyacrylate
The XLogP value of 2.7418 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-methyl 2-(2-(bromomethyl)phenyl)-3-methoxyacrylate. With a topological polar surface area (TPSA) of 35.53 Ų, (E)-methyl 2-(2-(bromomethyl)phenyl)-3-methoxyacrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-methyl 2-(2-(bromomethyl)phenyl)-3-methoxyacrylate has 0 hydrogen bond donor(s) and 3 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 (E)-methyl 2-(2-(bromomethyl)phenyl)-3-methoxyacrylate?
The CAS number of (E)-methyl 2-(2-(bromomethyl)phenyl)-3-methoxyacrylate is 107048-59-9.
What is the molecular formula of (E)-methyl 2-(2-(bromomethyl)phenyl)-3-methoxyacrylate?
The molecular formula of (E)-methyl 2-(2-(bromomethyl)phenyl)-3-methoxyacrylate is C12H13BrO3.
What is the molecular weight of (E)-methyl 2-(2-(bromomethyl)phenyl)-3-methoxyacrylate?
The molecular weight of (E)-methyl 2-(2-(bromomethyl)phenyl)-3-methoxyacrylate is 284.00 g/mol.
Where can I buy (E)-methyl 2-(2-(bromomethyl)phenyl)-3-methoxyacrylate?
You can request a quote for (E)-methyl 2-(2-(bromomethyl)phenyl)-3-methoxyacrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-methyl 2-(2-(bromomethyl)phenyl)-3-methoxyacrylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 2-(2-(bromomethyl)phenyl)-3-methoxyacrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.