3-Bromopropenoic acid methyl ester
TL;DR: 3-Bromopropenoic acid methyl ester (CAS 6213-87-2) is a chemical compound with molecular formula C4H5BrO2 and molecular weight 163.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-bromoprop-2-enoate
Also Known As: (E)-Methyl 3-bromoacrylate, 3-bromopropenoic acid methyl ester, (Z)-3-Bromopropenoic acid methyl ester 95/5 Z/E, 2-Propenoic acid,3-bromo-, methyl ester, (2E)-, 2-Propenoic acid, 3-bromo-, methyl ester, (2Z)-
| Molecular Formula | C4H5BrO2 |
|---|---|
| Molecular Weight | 163.95 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 163.9473 |
| Heavy Atoms | 7 |
| Complexity | 87.0 |
Chemical Identifiers
| CAS Number | 6213-87-2 |
|---|---|
| SMILES | COC(=O)C=CBr |
| InChIKey | HGOGNLOBEAIJAM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Bromopropenoic acid methyl ester (CAS 6213-87-2), with molecular formula C4H5BrO2 and molecular weight 163.95 g/mol. IUPAC: methyl 3-bromoprop-2-enoate.
Chemical Property Profile of 3-Bromopropenoic acid methyl ester
Property Insights of 3-Bromopropenoic acid methyl ester
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromopropenoic acid methyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Bromopropenoic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromopropenoic 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-Bromopropenoic acid methyl ester?
The CAS number of 3-Bromopropenoic acid methyl ester is 6213-87-2.
What is the molecular formula of 3-Bromopropenoic acid methyl ester?
The molecular formula of 3-Bromopropenoic acid methyl ester is C4H5BrO2.
What is the molecular weight of 3-Bromopropenoic acid methyl ester?
The molecular weight of 3-Bromopropenoic acid methyl ester is 163.95 g/mol.
Where can I buy 3-Bromopropenoic acid methyl ester?
You can request a quote for 3-Bromopropenoic 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-Bromopropenoic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromopropenoic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.