Ethyl 4-iodobut-2-enoate
TL;DR: Ethyl 4-iodobut-2-enoate (CAS 59425-01-3) is a chemical compound with molecular formula C6H9IO2 and molecular weight 239.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-iodobut-2-enoate
Also Known As: ethyl 4-iodobut-2-enoate, ethyl (E)-4-iodobut-2-enoate
| Molecular Formula | C6H9IO2 |
|---|---|
| Molecular Weight | 239.96 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 239.96474 |
| Heavy Atoms | 9 |
| Complexity | 110.0 |
Chemical Identifiers
| CAS Number | 59425-01-3 |
|---|---|
| SMILES | CCOC(=O)C=CCI |
| InChIKey | LGYZOJAAYSPBDU-UHFFFAOYSA-N |
Product Overview
Ethyl 4-iodobut-2-enoate (CAS 59425-01-3), with molecular formula C6H9IO2 and molecular weight 239.96 g/mol. IUPAC: ethyl 4-iodobut-2-enoate.
Chemical Property Profile of Ethyl 4-iodobut-2-enoate
Property Insights of Ethyl 4-iodobut-2-enoate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-iodobut-2-enoate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 4-iodobut-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-iodobut-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 4-iodobut-2-enoate?
The CAS number of Ethyl 4-iodobut-2-enoate is 59425-01-3.
What is the molecular formula of Ethyl 4-iodobut-2-enoate?
The molecular formula of Ethyl 4-iodobut-2-enoate is C6H9IO2.
What is the molecular weight of Ethyl 4-iodobut-2-enoate?
The molecular weight of Ethyl 4-iodobut-2-enoate is 239.96 g/mol.
Where can I buy Ethyl 4-iodobut-2-enoate?
You can request a quote for Ethyl 4-iodobut-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 4-iodobut-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-iodobut-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.