Benzoic acid, 2,3,4,6-tetraiodo-, butyl ester
TL;DR: Benzoic acid, 2,3,4,6-tetraiodo-, butyl ester (CAS 34869-32-4) is a chemical compound with molecular formula C11H10I4O2 and molecular weight 681.69 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2,3,4,6-tetraiodobenzoate
Also Known As: Butyl 2,3,4,6-tetraiodobenzoate, Benzoic acid, 2,3,4,6-tetraiodo-, butyl ester, 2,3,4,6-Tetraiodobenzoic acid butyl ester, Benzoic acid,2,3,4,6-tetraiodo-,butyl ester, RefChem:118290
| Molecular Formula | C11H10I4O2 |
|---|---|
| Molecular Weight | 681.69 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 681.686 |
| Heavy Atoms | 17 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 34869-32-4 |
|---|---|
| SMILES | CCCCOC(=O)C1=C(C(=C(C=C1I)I)I)I |
| InChIKey | DMTBZBBVYHFVLH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 2,3,4,6-tetraiodo-, butyl ester (CAS 34869-32-4), with molecular formula C11H10I4O2 and molecular weight 681.69 g/mol. IUPAC: butyl 2,3,4,6-tetraiodobenzoate.
Chemical Property Profile of Benzoic acid, 2,3,4,6-tetraiodo-, butyl ester
Property Insights of Benzoic acid, 2,3,4,6-tetraiodo-, butyl ester
The XLogP value of 5.6 indicates that Benzoic acid, 2,3,4,6-tetraiodo-, butyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Benzoic acid, 2,3,4,6-tetraiodo-, butyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2,3,4,6-tetraiodo-, butyl ester has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoic acid, 2,3,4,6-tetraiodo-, butyl ester?
The CAS number of Benzoic acid, 2,3,4,6-tetraiodo-, butyl ester is 34869-32-4.
What is the molecular formula of Benzoic acid, 2,3,4,6-tetraiodo-, butyl ester?
The molecular formula of Benzoic acid, 2,3,4,6-tetraiodo-, butyl ester is C11H10I4O2.
What is the molecular weight of Benzoic acid, 2,3,4,6-tetraiodo-, butyl ester?
The molecular weight of Benzoic acid, 2,3,4,6-tetraiodo-, butyl ester is 681.69 g/mol.
Where can I buy Benzoic acid, 2,3,4,6-tetraiodo-, butyl ester?
You can request a quote for Benzoic acid, 2,3,4,6-tetraiodo-, butyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2,3,4,6-tetraiodo-, butyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2,3,4,6-tetraiodo-, butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.