4-Iodo-3-methoxybut-2-enoic acid, methyl ester
TL;DR: 4-Iodo-3-methoxybut-2-enoic acid, methyl ester (CAS 87730-85-6) is a chemical compound with molecular formula C6H9IO3 and molecular weight 255.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-4-iodo-3-methoxybut-2-enoate
Also Known As: methyl (E)-4-iodo-3-methoxy-2-butenoate, methyl (E)-4-iodo-3-methoxybut-2-enoate, Methyl (2E)-4-iodo-3-methoxy-2-butenoate, Methyl (2E)-4-iodo-3-methoxy-2-butenoate #, 4-Iodo-3-methoxybut-2-enoic acid, methyl ester
| Molecular Formula | C6H9IO3 |
|---|---|
| Molecular Weight | 255.96 g/mol |
| LogP | 1.1247 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 255.95964 |
| Heavy Atoms | 10 |
| Complexity | 135.92836 |
Chemical Identifiers
| CAS Number | 87730-85-6 |
|---|---|
| SMILES | CO/C(=C/C(=O)OC)/CI |
Product Overview
4-Iodo-3-methoxybut-2-enoic acid, methyl ester (CAS 87730-85-6), with molecular formula C6H9IO3 and molecular weight 255.96 g/mol. IUPAC: methyl (E)-4-iodo-3-methoxybut-2-enoate.
Chemical Property Profile of 4-Iodo-3-methoxybut-2-enoic acid, methyl ester
Property Insights of 4-Iodo-3-methoxybut-2-enoic acid, methyl ester
The XLogP value of 1.1247 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Iodo-3-methoxybut-2-enoic acid, methyl ester. With a topological polar surface area (TPSA) of 35.53 Ų, 4-Iodo-3-methoxybut-2-enoic acid, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Iodo-3-methoxybut-2-enoic acid, methyl ester has 0 hydrogen bond donor(s) and 3 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 4-Iodo-3-methoxybut-2-enoic acid, methyl ester?
The CAS number of 4-Iodo-3-methoxybut-2-enoic acid, methyl ester is 87730-85-6.
What is the molecular formula of 4-Iodo-3-methoxybut-2-enoic acid, methyl ester?
The molecular formula of 4-Iodo-3-methoxybut-2-enoic acid, methyl ester is C6H9IO3.
What is the molecular weight of 4-Iodo-3-methoxybut-2-enoic acid, methyl ester?
The molecular weight of 4-Iodo-3-methoxybut-2-enoic acid, methyl ester is 255.96 g/mol.
Where can I buy 4-Iodo-3-methoxybut-2-enoic acid, methyl ester?
You can request a quote for 4-Iodo-3-methoxybut-2-enoic acid, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Iodo-3-methoxybut-2-enoic acid, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Iodo-3-methoxybut-2-enoic acid, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.