Benzoic acid, 2,4,6-triiodo-
TL;DR: Benzoic acid, 2,4,6-triiodo- (CAS 2012-31-9) is a chemical compound with molecular formula C7H3I3O2 and molecular weight 499.73 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,6-triiodobenzoic acid
Also Known As: 2,4,6-Triiodobenzoic acid, BENZOIC ACID, 2,4,6-TRIIODO-, 4-09-00-01045 (Beilstein Handbook Reference), J2.444.158J, BRN 2103155
| Molecular Formula | C7H3I3O2 |
|---|---|
| Molecular Weight | 499.73 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 499.7267 |
| Heavy Atoms | 12 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 2012-31-9 |
|---|---|
| SMILES | C1=C(C=C(C(=C1I)C(=O)O)I)I |
| InChIKey | CRVYPNHLIAWRNV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 2,4,6-triiodo- (CAS 2012-31-9), with molecular formula C7H3I3O2 and molecular weight 499.73 g/mol. IUPAC: 2,4,6-triiodobenzoic acid.
Chemical Property Profile of Benzoic acid, 2,4,6-triiodo-
Property Insights of Benzoic acid, 2,4,6-triiodo-
The XLogP value of 3.4 indicates that Benzoic acid, 2,4,6-triiodo- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, Benzoic acid, 2,4,6-triiodo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2,4,6-triiodo- has 1 hydrogen bond donor(s) and 2 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 Benzoic acid, 2,4,6-triiodo-?
The CAS number of Benzoic acid, 2,4,6-triiodo- is 2012-31-9.
What is the molecular formula of Benzoic acid, 2,4,6-triiodo-?
The molecular formula of Benzoic acid, 2,4,6-triiodo- is C7H3I3O2.
What is the molecular weight of Benzoic acid, 2,4,6-triiodo-?
The molecular weight of Benzoic acid, 2,4,6-triiodo- is 499.73 g/mol.
Where can I buy Benzoic acid, 2,4,6-triiodo-?
You can request a quote for Benzoic acid, 2,4,6-triiodo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2,4,6-triiodo-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2,4,6-triiodo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.