2-Butenoic acid,3-iodo-,ethyl ester,(2Z)-
TL;DR: 2-Butenoic acid,3-iodo-,ethyl ester,(2Z)- (CAS 34450-61-8) 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 (E)-3-iodobut-2-enoate
Also Known As: ethyl (E)-3-iodobut-2-enoate, Ethyl 3-iodobut-2-enoate, Ethyl (Z)-3-Iodo-2-butenoate, Ethyl (2E)-3-iodo-2-butenoate, 3-Iodo-cis-crotonic acid ethyl ester
| Molecular Formula | C6H9IO2 |
|---|---|
| Molecular Weight | 239.96 g/mol |
| LogP | 1.8883 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.96474 |
| Heavy Atoms | 9 |
| Complexity | 125.01955 |
Chemical Identifiers
| CAS Number | 34450-61-8 |
|---|---|
| SMILES | CCOC(=O)/C=C(\C)/I |
Product Overview
2-Butenoic acid,3-iodo-,ethyl ester,(2Z)- (CAS 34450-61-8), with molecular formula C6H9IO2 and molecular weight 239.96 g/mol. IUPAC: ethyl (E)-3-iodobut-2-enoate.
Chemical Property Profile of 2-Butenoic acid,3-iodo-,ethyl ester,(2Z)-
Property Insights of 2-Butenoic acid,3-iodo-,ethyl ester,(2Z)-
The XLogP value of 1.8883 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butenoic acid,3-iodo-,ethyl ester,(2Z)-. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Butenoic acid,3-iodo-,ethyl ester,(2Z)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butenoic acid,3-iodo-,ethyl ester,(2Z)- 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-Butenoic acid,3-iodo-,ethyl ester,(2Z)-?
The CAS number of 2-Butenoic acid,3-iodo-,ethyl ester,(2Z)- is 34450-61-8.
What is the molecular formula of 2-Butenoic acid,3-iodo-,ethyl ester,(2Z)-?
The molecular formula of 2-Butenoic acid,3-iodo-,ethyl ester,(2Z)- is C6H9IO2.
What is the molecular weight of 2-Butenoic acid,3-iodo-,ethyl ester,(2Z)-?
The molecular weight of 2-Butenoic acid,3-iodo-,ethyl ester,(2Z)- is 239.96 g/mol.
Where can I buy 2-Butenoic acid,3-iodo-,ethyl ester,(2Z)-?
You can request a quote for 2-Butenoic acid,3-iodo-,ethyl ester,(2Z)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butenoic acid,3-iodo-,ethyl ester,(2Z)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenoic acid,3-iodo-,ethyl ester,(2Z)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.