Diethyl iodofumarate
TL;DR: Diethyl iodofumarate (CAS 38318-63-7) is a chemical compound with molecular formula C8H11IO4 and molecular weight 297.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl (Z)-2-iodobut-2-enedioate
Also Known As: Diethyl iodofumarate, diethyl iodo-fumarate, diethyl (Z)-2-iodobut-2-enedioate, 2-Butenedioic acid, 2-iodo-, diethyl ester, (Z)-, 2-Butenedioicacid,2-iodo-,1,4-diethyl ester,(2Z)-
| Molecular Formula | C8H11IO4 |
|---|---|
| Molecular Weight | 297.97 g/mol |
| LogP | 1.4315 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 297.9702 |
| Heavy Atoms | 13 |
| Complexity | 222.18391 |
Chemical Identifiers
| CAS Number | 38318-63-7 |
|---|---|
| SMILES | CCOC(=O)/C=C(/C(=O)OCC)\I |
Product Overview
Diethyl iodofumarate (CAS 38318-63-7), with molecular formula C8H11IO4 and molecular weight 297.97 g/mol. IUPAC: diethyl (Z)-2-iodobut-2-enedioate.
Chemical Property Profile of Diethyl iodofumarate
Property Insights of Diethyl iodofumarate
The XLogP value of 1.4315 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl iodofumarate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl iodofumarate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl iodofumarate has 0 hydrogen bond donor(s) and 4 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 Diethyl iodofumarate?
The CAS number of Diethyl iodofumarate is 38318-63-7.
What is the molecular formula of Diethyl iodofumarate?
The molecular formula of Diethyl iodofumarate is C8H11IO4.
What is the molecular weight of Diethyl iodofumarate?
The molecular weight of Diethyl iodofumarate is 297.97 g/mol.
Where can I buy Diethyl iodofumarate?
You can request a quote for Diethyl iodofumarate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl iodofumarate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl iodofumarate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.