(Z) Ethyl 3-bromoacrylate
TL;DR: (Z) Ethyl 3-bromoacrylate (CAS 31930-35-5) is a chemical compound with molecular formula C5H7BrO2 and molecular weight 177.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (Z)-3-bromoprop-2-enoate
Also Known As: Ethyl cis-3-bromoacrylate, null, ethyl (z)-3-bromoacrylate, ethyl (Z)-3-bromoprop-2-enoate, Ethylcis-3-bromoacrylate
| Molecular Formula | C5H7BrO2 |
|---|---|
| Molecular Weight | 177.96 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 177.96294 |
| Heavy Atoms | 8 |
| Complexity | 98.0 |
Chemical Identifiers
| CAS Number | 31930-35-5 |
|---|---|
| SMILES | CCOC(=O)/C=C\Br |
| InChIKey | UJTJVQIYRQALIK-ARJAWSKDSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(Z) Ethyl 3-bromoacrylate (CAS 31930-35-5), with molecular formula C5H7BrO2 and molecular weight 177.96 g/mol. IUPAC: ethyl (Z)-3-bromoprop-2-enoate.
Chemical Property Profile of (Z) Ethyl 3-bromoacrylate
Property Insights of (Z) Ethyl 3-bromoacrylate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z) Ethyl 3-bromoacrylate. With a topological polar surface area (TPSA) of 26.3 Ų, (Z) Ethyl 3-bromoacrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z) Ethyl 3-bromoacrylate 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 (Z) Ethyl 3-bromoacrylate?
The CAS number of (Z) Ethyl 3-bromoacrylate is 31930-35-5.
What is the molecular formula of (Z) Ethyl 3-bromoacrylate?
The molecular formula of (Z) Ethyl 3-bromoacrylate is C5H7BrO2.
What is the molecular weight of (Z) Ethyl 3-bromoacrylate?
The molecular weight of (Z) Ethyl 3-bromoacrylate is 177.96 g/mol.
Where can I buy (Z) Ethyl 3-bromoacrylate?
You can request a quote for (Z) Ethyl 3-bromoacrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z) Ethyl 3-bromoacrylate?
Yes, KEHONG BIO provides custom synthesis services for (Z) Ethyl 3-bromoacrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.