Terephthalic acid, 2,3,5,6-tetraiodo-, dimethyl ester
TL;DR: Terephthalic acid, 2,3,5,6-tetraiodo-, dimethyl ester (CAS 61839-06-3) is a chemical compound with molecular formula C10H6I4O4 and molecular weight 697.64 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2,3,5,6-tetraiodobenzene-1,4-dicarboxylate
Also Known As: 2,3,5,6-Tetraiodoterephthalic acid dimethyl ester, Terephthalic acid, 2,3,5,6-tetraiodo-, dimethyl ester, 0-09-00-00851 (Beilstein Handbook Reference), dimethyl 2,3,5,6-tetraiodobenzene-1,4-dicarboxylate, 1,4-dimethyl 2,3,5,6-tetraiodobenzene-1,4-dicarboxylate
| Molecular Formula | C10H6I4O4 |
|---|---|
| Molecular Weight | 697.64 g/mol |
| LogP | 3.6782 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 697.6445 |
| Heavy Atoms | 18 |
| Complexity | 451.09433 |
Chemical Identifiers
| CAS Number | 61839-06-3 |
|---|---|
| SMILES | COC(=O)C1=C(C(=C(C(=C1I)I)C(=O)OC)I)I |
Product Overview
Terephthalic acid, 2,3,5,6-tetraiodo-, dimethyl ester (CAS 61839-06-3), with molecular formula C10H6I4O4 and molecular weight 697.64 g/mol. IUPAC: dimethyl 2,3,5,6-tetraiodobenzene-1,4-dicarboxylate.
Chemical Property Profile of Terephthalic acid, 2,3,5,6-tetraiodo-, dimethyl ester
Property Insights of Terephthalic acid, 2,3,5,6-tetraiodo-, dimethyl ester
The XLogP value of 3.6782 indicates that Terephthalic acid, 2,3,5,6-tetraiodo-, dimethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Terephthalic acid, 2,3,5,6-tetraiodo-, dimethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Terephthalic acid, 2,3,5,6-tetraiodo-, dimethyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Terephthalic acid, 2,3,5,6-tetraiodo-, dimethyl ester?
The CAS number of Terephthalic acid, 2,3,5,6-tetraiodo-, dimethyl ester is 61839-06-3.
What is the molecular formula of Terephthalic acid, 2,3,5,6-tetraiodo-, dimethyl ester?
The molecular formula of Terephthalic acid, 2,3,5,6-tetraiodo-, dimethyl ester is C10H6I4O4.
What is the molecular weight of Terephthalic acid, 2,3,5,6-tetraiodo-, dimethyl ester?
The molecular weight of Terephthalic acid, 2,3,5,6-tetraiodo-, dimethyl ester is 697.64 g/mol.
Where can I buy Terephthalic acid, 2,3,5,6-tetraiodo-, dimethyl ester?
You can request a quote for Terephthalic acid, 2,3,5,6-tetraiodo-, dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Terephthalic acid, 2,3,5,6-tetraiodo-, dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Terephthalic acid, 2,3,5,6-tetraiodo-, dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.