![Methyl 3-[2-(bromomethyl)phenyl]propanoate structure](/static/products/124/124237-53-2.png)
Methyl 3-[2-(bromomethyl)phenyl]propanoate
TL;DR: Methyl 3-[2-(bromomethyl)phenyl]propanoate (CAS 124237-53-2) is a chemical compound with molecular formula C11H13BrO2 and molecular weight 256.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[2-(bromomethyl)phenyl]propanoate
Also Known As: methyl 3-[2-(bromomethyl)phenyl]propanoate, benzenepropanoic acid, 2-(bromomethyl)-, methyl ester, InChI=1/C11H13BrO2/c1-14-11(13)7-6-9-4-2-3-5-10(9)8-12/h2-5H,6-8H2,1H
| Molecular Formula | C11H13BrO2 |
|---|---|
| Molecular Weight | 256.01 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 256.0099 |
| Heavy Atoms | 14 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 124237-53-2 |
|---|---|
| SMILES | COC(=O)CCC1=CC=CC=C1CBr |
| InChIKey | BVKSXPAYLZOIPS-UHFFFAOYSA-N |
Product Overview
Methyl 3-[2-(bromomethyl)phenyl]propanoate (CAS 124237-53-2), with molecular formula C11H13BrO2 and molecular weight 256.01 g/mol. IUPAC: methyl 3-[2-(bromomethyl)phenyl]propanoate.
Chemical Property Profile of Methyl 3-[2-(bromomethyl)phenyl]propanoate
Property Insights of Methyl 3-[2-(bromomethyl)phenyl]propanoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-[2-(bromomethyl)phenyl]propanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 3-[2-(bromomethyl)phenyl]propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-[2-(bromomethyl)phenyl]propanoate 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 3-[2-(bromomethyl)phenyl]propanoate?
The CAS number of Methyl 3-[2-(bromomethyl)phenyl]propanoate is 124237-53-2.
What is the molecular formula of Methyl 3-[2-(bromomethyl)phenyl]propanoate?
The molecular formula of Methyl 3-[2-(bromomethyl)phenyl]propanoate is C11H13BrO2.
What is the molecular weight of Methyl 3-[2-(bromomethyl)phenyl]propanoate?
The molecular weight of Methyl 3-[2-(bromomethyl)phenyl]propanoate is 256.01 g/mol.
Where can I buy Methyl 3-[2-(bromomethyl)phenyl]propanoate?
You can request a quote for Methyl 3-[2-(bromomethyl)phenyl]propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-[2-(bromomethyl)phenyl]propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-[2-(bromomethyl)phenyl]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.