Methyl 2-bromo-3-(4-chlorophenyl)-3-methoxypropanoate
TL;DR: Methyl 2-bromo-3-(4-chlorophenyl)-3-methoxypropanoate (CAS 6090-49-9) is a chemical compound with molecular formula C11H12BrClO3 and molecular weight 305.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-bromo-3-(4-chlorophenyl)-3-methoxypropanoate
Also Known As: methyl 2-bromo-3-(4-chlorophenyl)-3-methoxypropanoate, methyl (E)-3-methoxy-3-phenylacrylate, METHYL 2-BROMO-3-(4-CHLOROPHENYL)-3-METHOXY-PROPANOATE
| Molecular Formula | C11H12BrClO3 |
|---|---|
| Molecular Weight | 305.97 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 305.96582 |
| Heavy Atoms | 16 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 6090-49-9 |
|---|---|
| SMILES | COC(C1=CC=C(C=C1)Cl)C(C(=O)OC)Br |
| InChIKey | RBVQIIHMBAAIRW-UHFFFAOYSA-N |
Product Overview
Methyl 2-bromo-3-(4-chlorophenyl)-3-methoxypropanoate (CAS 6090-49-9), with molecular formula C11H12BrClO3 and molecular weight 305.97 g/mol. IUPAC: methyl 2-bromo-3-(4-chlorophenyl)-3-methoxypropanoate.
Chemical Property Profile of Methyl 2-bromo-3-(4-chlorophenyl)-3-methoxypropanoate
Property Insights of Methyl 2-bromo-3-(4-chlorophenyl)-3-methoxypropanoate
The XLogP value of 3.0 indicates that Methyl 2-bromo-3-(4-chlorophenyl)-3-methoxypropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Methyl 2-bromo-3-(4-chlorophenyl)-3-methoxypropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-bromo-3-(4-chlorophenyl)-3-methoxypropanoate 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 2-bromo-3-(4-chlorophenyl)-3-methoxypropanoate?
The CAS number of Methyl 2-bromo-3-(4-chlorophenyl)-3-methoxypropanoate is 6090-49-9.
What is the molecular formula of Methyl 2-bromo-3-(4-chlorophenyl)-3-methoxypropanoate?
The molecular formula of Methyl 2-bromo-3-(4-chlorophenyl)-3-methoxypropanoate is C11H12BrClO3.
What is the molecular weight of Methyl 2-bromo-3-(4-chlorophenyl)-3-methoxypropanoate?
The molecular weight of Methyl 2-bromo-3-(4-chlorophenyl)-3-methoxypropanoate is 305.97 g/mol.
Where can I buy Methyl 2-bromo-3-(4-chlorophenyl)-3-methoxypropanoate?
You can request a quote for Methyl 2-bromo-3-(4-chlorophenyl)-3-methoxypropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-bromo-3-(4-chlorophenyl)-3-methoxypropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-bromo-3-(4-chlorophenyl)-3-methoxypropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.