2-Propenoic acid, 3-bromo-, methyl ester, (E)-
TL;DR: 2-Propenoic acid, 3-bromo-, methyl ester, (E)- (CAS 6214-22-8) 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 (E)-3-bromoprop-2-enoate
Also Known As: (E)-Methyl 3-bromoacrylate, methyl (E)-3-bromoprop-2-enoate, methyl 3-bromo-e-acrylate, methyl (2E)-3-bromoacrylate, methyl trans-3-bromopropenoate
| Molecular Formula | C4H5BrO2 |
|---|---|
| Molecular Weight | 163.95 g/mol |
| LogP | 1.068 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 163.9473 |
| Heavy Atoms | 7 |
| Complexity | 87.69058 |
Chemical Identifiers
| CAS Number | 6214-22-8 |
|---|---|
| SMILES | COC(=O)/C=C/Br |
Product Overview
2-Propenoic acid, 3-bromo-, methyl ester, (E)- (CAS 6214-22-8), with molecular formula C4H5BrO2 and molecular weight 163.95 g/mol. IUPAC: methyl (E)-3-bromoprop-2-enoate.
Chemical Property Profile of 2-Propenoic acid, 3-bromo-, methyl ester, (E)-
Property Insights of 2-Propenoic acid, 3-bromo-, methyl ester, (E)-
The XLogP value of 1.068 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid, 3-bromo-, methyl ester, (E)-. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Propenoic acid, 3-bromo-, methyl ester, (E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenoic acid, 3-bromo-, methyl ester, (E)- 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 2-Propenoic acid, 3-bromo-, methyl ester, (E)-?
The CAS number of 2-Propenoic acid, 3-bromo-, methyl ester, (E)- is 6214-22-8.
What is the molecular formula of 2-Propenoic acid, 3-bromo-, methyl ester, (E)-?
The molecular formula of 2-Propenoic acid, 3-bromo-, methyl ester, (E)- is C4H5BrO2.
What is the molecular weight of 2-Propenoic acid, 3-bromo-, methyl ester, (E)-?
The molecular weight of 2-Propenoic acid, 3-bromo-, methyl ester, (E)- is 163.95 g/mol.
Where can I buy 2-Propenoic acid, 3-bromo-, methyl ester, (E)-?
You can request a quote for 2-Propenoic acid, 3-bromo-, methyl ester, (E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenoic acid, 3-bromo-, methyl ester, (E)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 3-bromo-, methyl ester, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.