Methyl 3-(4-bromophenyl)-3-oxopropanoate
TL;DR: Methyl 3-(4-bromophenyl)-3-oxopropanoate (CAS 126629-81-0) is a chemical compound with molecular formula C10H9BrO3 and molecular weight 255.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(4-bromophenyl)-3-oxopropanoate
Also Known As: methyl 3-(4-bromophenyl)-3-oxopropanoate, Broxitalamicacid, methyl 3-(4-bromophenyl)-3-oxopropionate, 3-(4-Bromo-phenyl)-3-oxo-propionic acid methyl ester, Benzenepropanoic acid, 4-bromo-beta-oxo-, methyl ester
| Molecular Formula | C10H9BrO3 |
|---|---|
| Molecular Weight | 255.97 g/mol |
| LogP | 2.1949 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 255.97351 |
| Heavy Atoms | 14 |
| Complexity | 342.88968 |
Chemical Identifiers
| CAS Number | 126629-81-0 |
|---|---|
| SMILES | COC(=O)CC(=O)C1=CC=C(C=C1)Br |
Product Overview
Methyl 3-(4-bromophenyl)-3-oxopropanoate (CAS 126629-81-0), with molecular formula C10H9BrO3 and molecular weight 255.97 g/mol. IUPAC: methyl 3-(4-bromophenyl)-3-oxopropanoate.
Chemical Property Profile of Methyl 3-(4-bromophenyl)-3-oxopropanoate
Property Insights of Methyl 3-(4-bromophenyl)-3-oxopropanoate
The XLogP value of 2.1949 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(4-bromophenyl)-3-oxopropanoate. With a topological polar surface area (TPSA) of 43.37 Ų, Methyl 3-(4-bromophenyl)-3-oxopropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(4-bromophenyl)-3-oxopropanoate 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 Methyl 3-(4-bromophenyl)-3-oxopropanoate?
The CAS number of Methyl 3-(4-bromophenyl)-3-oxopropanoate is 126629-81-0.
What is the molecular formula of Methyl 3-(4-bromophenyl)-3-oxopropanoate?
The molecular formula of Methyl 3-(4-bromophenyl)-3-oxopropanoate is C10H9BrO3.
What is the molecular weight of Methyl 3-(4-bromophenyl)-3-oxopropanoate?
The molecular weight of Methyl 3-(4-bromophenyl)-3-oxopropanoate is 255.97 g/mol.
Where can I buy Methyl 3-(4-bromophenyl)-3-oxopropanoate?
You can request a quote for Methyl 3-(4-bromophenyl)-3-oxopropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(4-bromophenyl)-3-oxopropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(4-bromophenyl)-3-oxopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.