Ethyl (2E)-6-bromohex-2-enoate
TL;DR: Ethyl (2E)-6-bromohex-2-enoate (CAS 71032-10-5) is a chemical compound with molecular formula C8H13BrO2 and molecular weight 220.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-6-bromohex-2-enoate
Also Known As: Ethyl 6-bromohex-2-enoate, Ethyl (E)-6-bromohex-2-enoate, ETHYL (2E)-6-BROMOHEX-2-ENOATE, (E)-ETHYL 6-BROMOHEX-2-ENOATE, 6-Bromo-2-hexenoic acid ethyl ester
| Molecular Formula | C8H13BrO2 |
|---|---|
| Molecular Weight | 220.01 g/mol |
| LogP | 2.2808 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 220.00989 |
| Heavy Atoms | 11 |
| Complexity | 132.05374 |
Chemical Identifiers
| CAS Number | 71032-10-5 |
|---|---|
| SMILES | CCOC(=O)/C=C/CCCBr |
Product Overview
Ethyl (2E)-6-bromohex-2-enoate (CAS 71032-10-5), with molecular formula C8H13BrO2 and molecular weight 220.01 g/mol. IUPAC: ethyl (E)-6-bromohex-2-enoate.
Chemical Property Profile of Ethyl (2E)-6-bromohex-2-enoate
Property Insights of Ethyl (2E)-6-bromohex-2-enoate
The XLogP value of 2.2808 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (2E)-6-bromohex-2-enoate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl (2E)-6-bromohex-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl (2E)-6-bromohex-2-enoate 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 Ethyl (2E)-6-bromohex-2-enoate?
The CAS number of Ethyl (2E)-6-bromohex-2-enoate is 71032-10-5.
What is the molecular formula of Ethyl (2E)-6-bromohex-2-enoate?
The molecular formula of Ethyl (2E)-6-bromohex-2-enoate is C8H13BrO2.
What is the molecular weight of Ethyl (2E)-6-bromohex-2-enoate?
The molecular weight of Ethyl (2E)-6-bromohex-2-enoate is 220.01 g/mol.
Where can I buy Ethyl (2E)-6-bromohex-2-enoate?
You can request a quote for Ethyl (2E)-6-bromohex-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (2E)-6-bromohex-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (2E)-6-bromohex-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.