3-Hydroxy-2,4,6-triiodobenzoic acid
TL;DR: 3-Hydroxy-2,4,6-triiodobenzoic acid (CAS 53279-72-4) is a chemical compound with molecular formula C7H3I3O3 and molecular weight 515.72 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-2,4,6-triiodobenzoic acid
Also Known As: 3-Hydroxy-2,4,6-triiodobenzoic acid, HTBA, Aldol, Benzoic acid, 3-hydroxy-2,4,6-triiodo-, 2,4,6-triiodo-3-hydroxybenzoic acid
| Molecular Formula | C7H3I3O3 |
|---|---|
| Molecular Weight | 515.72 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 515.7216 |
| Heavy Atoms | 13 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 53279-72-4 |
|---|---|
| SMILES | C1=C(C(=C(C(=C1I)O)I)C(=O)O)I |
| InChIKey | GIAVHGFPMPSIFI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Hydroxy-2,4,6-triiodobenzoic acid (CAS 53279-72-4), with molecular formula C7H3I3O3 and molecular weight 515.72 g/mol. IUPAC: 3-hydroxy-2,4,6-triiodobenzoic acid.
Chemical Property Profile of 3-Hydroxy-2,4,6-triiodobenzoic acid
Property Insights of 3-Hydroxy-2,4,6-triiodobenzoic acid
The XLogP value of 3.0 indicates that 3-Hydroxy-2,4,6-triiodobenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 3-Hydroxy-2,4,6-triiodobenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxy-2,4,6-triiodobenzoic acid has 2 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 3-Hydroxy-2,4,6-triiodobenzoic acid?
The CAS number of 3-Hydroxy-2,4,6-triiodobenzoic acid is 53279-72-4.
What is the molecular formula of 3-Hydroxy-2,4,6-triiodobenzoic acid?
The molecular formula of 3-Hydroxy-2,4,6-triiodobenzoic acid is C7H3I3O3.
What is the molecular weight of 3-Hydroxy-2,4,6-triiodobenzoic acid?
The molecular weight of 3-Hydroxy-2,4,6-triiodobenzoic acid is 515.72 g/mol.
Where can I buy 3-Hydroxy-2,4,6-triiodobenzoic acid?
You can request a quote for 3-Hydroxy-2,4,6-triiodobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-2,4,6-triiodobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-2,4,6-triiodobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.