dimethyl (Z)-2-iodobut-2-enedioate
TL;DR: dimethyl (Z)-2-iodobut-2-enedioate (CAS 301312-96-9) is a chemical compound with molecular formula C6H7IO4 and molecular weight 269.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl (Z)-2-iodobut-2-enedioate
Also Known As: dimethyl 2-iodofumarate, dimethyl (Z)-2-iodobut-2-enedioate, iodofumaric acid dimethyl ester, 1,4-dimethyl 2-iodobut-2-enedioate, 1,4-DIMETHYL (2Z)-2-IODOBUT-2-ENEDIOATE
| Molecular Formula | C6H7IO4 |
|---|---|
| Molecular Weight | 269.94 g/mol |
| LogP | 0.6513 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 269.9389 |
| Heavy Atoms | 11 |
| Complexity | 196.75896 |
Chemical Identifiers
| CAS Number | 301312-96-9 |
|---|---|
| SMILES | COC(=O)/C=C(/C(=O)OC)\I |
Product Overview
dimethyl (Z)-2-iodobut-2-enedioate (CAS 301312-96-9), with molecular formula C6H7IO4 and molecular weight 269.94 g/mol. IUPAC: dimethyl (Z)-2-iodobut-2-enedioate.
Chemical Property Profile of dimethyl (Z)-2-iodobut-2-enedioate
Property Insights of dimethyl (Z)-2-iodobut-2-enedioate
The XLogP value of 0.6513 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl (Z)-2-iodobut-2-enedioate. With a topological polar surface area (TPSA) of 52.6 Ų, dimethyl (Z)-2-iodobut-2-enedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, dimethyl (Z)-2-iodobut-2-enedioate 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 dimethyl (Z)-2-iodobut-2-enedioate?
The CAS number of dimethyl (Z)-2-iodobut-2-enedioate is 301312-96-9.
What is the molecular formula of dimethyl (Z)-2-iodobut-2-enedioate?
The molecular formula of dimethyl (Z)-2-iodobut-2-enedioate is C6H7IO4.
What is the molecular weight of dimethyl (Z)-2-iodobut-2-enedioate?
The molecular weight of dimethyl (Z)-2-iodobut-2-enedioate is 269.94 g/mol.
Where can I buy dimethyl (Z)-2-iodobut-2-enedioate?
You can request a quote for dimethyl (Z)-2-iodobut-2-enedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl (Z)-2-iodobut-2-enedioate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl (Z)-2-iodobut-2-enedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.