Methyl 3-bromopropanoate
TL;DR: Methyl 3-bromopropanoate (CAS 3395-91-3) is a chemical compound with molecular formula C4H7BrO2 and molecular weight 165.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-bromopropanoate
Also Known As: Methyl 3-bromopropanoate, Methyl 3-bromopropionate, methyl-3-bromopropionate, Methyl beta-bromopropionate, Propanoic acid, 3-bromo-, methyl ester
| Molecular Formula | C4H7BrO2 |
|---|---|
| Molecular Weight | 165.96 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 165.96294 |
| Heavy Atoms | 7 |
| Complexity | 62.0 |
Chemical Identifiers
| CAS Number | 3395-91-3 |
|---|---|
| SMILES | COC(=O)CCBr |
| InChIKey | KQEVIFKPZOGBMZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-bromopropanoate (CAS 3395-91-3), with molecular formula C4H7BrO2 and molecular weight 165.96 g/mol. IUPAC: methyl 3-bromopropanoate.
Chemical Property Profile of Methyl 3-bromopropanoate
Property Insights of Methyl 3-bromopropanoate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-bromopropanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 3-bromopropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-bromopropanoate 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-bromopropanoate?
The CAS number of Methyl 3-bromopropanoate is 3395-91-3.
What is the molecular formula of Methyl 3-bromopropanoate?
The molecular formula of Methyl 3-bromopropanoate is C4H7BrO2.
What is the molecular weight of Methyl 3-bromopropanoate?
The molecular weight of Methyl 3-bromopropanoate is 165.96 g/mol.
Where can I buy Methyl 3-bromopropanoate?
You can request a quote for Methyl 3-bromopropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-bromopropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-bromopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.