(3-Bromomethyl-phenyl)-acetic acid methyl ester
TL;DR: (3-Bromomethyl-phenyl)-acetic acid methyl ester (CAS 104508-22-7) is a chemical compound with molecular formula C10H11BrO2 and molecular weight 241.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[3-(bromomethyl)phenyl]acetate
Also Known As: methyl 2-(3-(bromomethyl)phenyl)acetate, Methyl 2-[3-(bromomethyl)phenyl]acetate, Benzeneacetic acid, 3-(bromomethyl)-, methyl ester, (3-Bromomethyl-phenyl)-acetic acid methyl ester, methyl [3-(bromomethyl)phenyl]acetate
| Molecular Formula | C10H11BrO2 |
|---|---|
| Molecular Weight | 241.99 g/mol |
| LogP | 2.297 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 241.99425 |
| Heavy Atoms | 13 |
| Complexity | 296.73114 |
Chemical Identifiers
| CAS Number | 104508-22-7 |
|---|---|
| SMILES | COC(=O)CC1=CC(=CC=C1)CBr |
Product Overview
(3-Bromomethyl-phenyl)-acetic acid methyl ester (CAS 104508-22-7), with molecular formula C10H11BrO2 and molecular weight 241.99 g/mol. IUPAC: methyl 2-[3-(bromomethyl)phenyl]acetate.
Chemical Property Profile of (3-Bromomethyl-phenyl)-acetic acid methyl ester
Property Insights of (3-Bromomethyl-phenyl)-acetic acid methyl ester
The XLogP value of 2.297 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Bromomethyl-phenyl)-acetic acid methyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, (3-Bromomethyl-phenyl)-acetic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Bromomethyl-phenyl)-acetic 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 (3-Bromomethyl-phenyl)-acetic acid methyl ester?
The CAS number of (3-Bromomethyl-phenyl)-acetic acid methyl ester is 104508-22-7.
What is the molecular formula of (3-Bromomethyl-phenyl)-acetic acid methyl ester?
The molecular formula of (3-Bromomethyl-phenyl)-acetic acid methyl ester is C10H11BrO2.
What is the molecular weight of (3-Bromomethyl-phenyl)-acetic acid methyl ester?
The molecular weight of (3-Bromomethyl-phenyl)-acetic acid methyl ester is 241.99 g/mol.
Where can I buy (3-Bromomethyl-phenyl)-acetic acid methyl ester?
You can request a quote for (3-Bromomethyl-phenyl)-acetic 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 (3-Bromomethyl-phenyl)-acetic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for (3-Bromomethyl-phenyl)-acetic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.