Crotonic acid, 4-(2,3,4,6-tetraiodophenoxy)-, methyl ester
TL;DR: Crotonic acid, 4-(2,3,4,6-tetraiodophenoxy)-, methyl ester (CAS 91058-69-4) is a chemical compound with molecular formula C11H8I4O3 and molecular weight 695.67 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-4-(2,3,4,6-tetraiodophenoxy)but-2-enoate
Also Known As: 4-(2,3,4,6-Tetraiodophenoxy)crotonic acid methyl ester, 4-06-00-01089 (Beilstein Handbook Reference), CROTONIC ACID, 4-(2,3,4,6-TETRAIODOPHENOXY)-, METHYL ESTER, gamma-(2,3,4,6-Tetrajodphenoxy) crotonsaeuremethyl ester, gamma-(2,3,4,6-Tetrajodphenoxy) crotonsaeuremethyl ester [German]
| Molecular Formula | C11H8I4O3 |
|---|---|
| Molecular Weight | 695.67 g/mol |
| LogP | 4.213 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 695.6652 |
| Heavy Atoms | 18 |
| Complexity | 485.66693 |
Chemical Identifiers
| CAS Number | 91058-69-4 |
|---|---|
| SMILES | COC(=O)/C=C/COC1=C(C(=C(C=C1I)I)I)I |
Product Overview
Crotonic acid, 4-(2,3,4,6-tetraiodophenoxy)-, methyl ester (CAS 91058-69-4), with molecular formula C11H8I4O3 and molecular weight 695.67 g/mol. IUPAC: methyl (E)-4-(2,3,4,6-tetraiodophenoxy)but-2-enoate.
Chemical Property Profile of Crotonic acid, 4-(2,3,4,6-tetraiodophenoxy)-, methyl ester
Property Insights of Crotonic acid, 4-(2,3,4,6-tetraiodophenoxy)-, methyl ester
The XLogP value of 4.213 indicates that Crotonic acid, 4-(2,3,4,6-tetraiodophenoxy)-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, Crotonic acid, 4-(2,3,4,6-tetraiodophenoxy)-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Crotonic acid, 4-(2,3,4,6-tetraiodophenoxy)-, methyl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Crotonic acid, 4-(2,3,4,6-tetraiodophenoxy)-, methyl ester?
The CAS number of Crotonic acid, 4-(2,3,4,6-tetraiodophenoxy)-, methyl ester is 91058-69-4.
What is the molecular formula of Crotonic acid, 4-(2,3,4,6-tetraiodophenoxy)-, methyl ester?
The molecular formula of Crotonic acid, 4-(2,3,4,6-tetraiodophenoxy)-, methyl ester is C11H8I4O3.
What is the molecular weight of Crotonic acid, 4-(2,3,4,6-tetraiodophenoxy)-, methyl ester?
The molecular weight of Crotonic acid, 4-(2,3,4,6-tetraiodophenoxy)-, methyl ester is 695.67 g/mol.
Where can I buy Crotonic acid, 4-(2,3,4,6-tetraiodophenoxy)-, methyl ester?
You can request a quote for Crotonic acid, 4-(2,3,4,6-tetraiodophenoxy)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Crotonic acid, 4-(2,3,4,6-tetraiodophenoxy)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Crotonic acid, 4-(2,3,4,6-tetraiodophenoxy)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.