2,6-Dinitro-4-iodobenzoic acid
TL;DR: 2,6-Dinitro-4-iodobenzoic acid (CAS 95192-58-8) is a chemical compound with molecular formula C7H3IN2O6 and molecular weight 337.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-iodo-2,6-dinitrobenzoic acid
Also Known As: 2,6-DINITRO-4-IODOBENZOIC ACID, 4-iodo-2,6-dinitrobenzoic acid, 4-iodo-2,6-dinitro-benzoic Acid, 3-(4-METHOXYPHENYL)-5-METHYL-4-ISOXAZOLECARBOXYLICACID
| Molecular Formula | C7H3IN2O6 |
|---|---|
| Molecular Weight | 337.90 g/mol |
| LogP | 1.8058 |
| Topological Polar Surface Area | 123.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.9036 |
| Heavy Atoms | 16 |
| Complexity | 464.64557 |
Chemical Identifiers
| CAS Number | 95192-58-8 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])C(=O)O)[N+](=O)[O-])I |
Product Overview
2,6-Dinitro-4-iodobenzoic acid (CAS 95192-58-8), with molecular formula C7H3IN2O6 and molecular weight 337.90 g/mol. IUPAC: 4-iodo-2,6-dinitrobenzoic acid.
Chemical Property Profile of 2,6-Dinitro-4-iodobenzoic acid
Property Insights of 2,6-Dinitro-4-iodobenzoic acid
The XLogP value of 1.8058 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Dinitro-4-iodobenzoic acid. The TPSA of 123.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-Dinitro-4-iodobenzoic acid. Following Lipinski's Rule of Five, 2,6-Dinitro-4-iodobenzoic acid has 1 hydrogen bond donor(s) and 5 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 2,6-Dinitro-4-iodobenzoic acid?
The CAS number of 2,6-Dinitro-4-iodobenzoic acid is 95192-58-8.
What is the molecular formula of 2,6-Dinitro-4-iodobenzoic acid?
The molecular formula of 2,6-Dinitro-4-iodobenzoic acid is C7H3IN2O6.
What is the molecular weight of 2,6-Dinitro-4-iodobenzoic acid?
The molecular weight of 2,6-Dinitro-4-iodobenzoic acid is 337.90 g/mol.
Where can I buy 2,6-Dinitro-4-iodobenzoic acid?
You can request a quote for 2,6-Dinitro-4-iodobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Dinitro-4-iodobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dinitro-4-iodobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.