Methyl (E)-3-iodoacrylate
TL;DR: Methyl (E)-3-iodoacrylate (CAS 89033-13-6) is a chemical compound with molecular formula C4H5IO2 and molecular weight 211.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-iodoprop-2-enoate
Also Known As: (E)-methyl 3-iodoacrylate, methyl 3-iodoacrylate, Methyl (E)-3-iodoacrylate, methyl 3-iodoprop-2-enoate, (Z)-Methyl 3-iodoacrylate
| Molecular Formula | C4H5IO2 |
|---|---|
| Molecular Weight | 211.93 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 211.93343 |
| Heavy Atoms | 7 |
| Complexity | 87.0 |
Chemical Identifiers
| CAS Number | 89033-13-6 |
|---|---|
| SMILES | COC(=O)C=CI |
| InChIKey | SUQXOFVGKSUSSM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl (E)-3-iodoacrylate (CAS 89033-13-6), with molecular formula C4H5IO2 and molecular weight 211.93 g/mol. IUPAC: methyl 3-iodoprop-2-enoate.
Chemical Property Profile of Methyl (E)-3-iodoacrylate
Property Insights of Methyl (E)-3-iodoacrylate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (E)-3-iodoacrylate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl (E)-3-iodoacrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl (E)-3-iodoacrylate 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 Methyl (E)-3-iodoacrylate?
The CAS number of Methyl (E)-3-iodoacrylate is 89033-13-6.
What is the molecular formula of Methyl (E)-3-iodoacrylate?
The molecular formula of Methyl (E)-3-iodoacrylate is C4H5IO2.
What is the molecular weight of Methyl (E)-3-iodoacrylate?
The molecular weight of Methyl (E)-3-iodoacrylate is 211.93 g/mol.
Where can I buy Methyl (E)-3-iodoacrylate?
You can request a quote for Methyl (E)-3-iodoacrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (E)-3-iodoacrylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (E)-3-iodoacrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.