3-Iodo-5-nitrobenzoic acid
TL;DR: 3-Iodo-5-nitrobenzoic acid (CAS 6313-17-3) is a chemical compound with molecular formula C7H4INO4 and molecular weight 292.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-iodo-5-nitrobenzoic acid
Also Known As: 3-Iodo-5-nitrobenzoic acid, Benzoic acid, 3-iodo-5-nitro-, iodonitrobenzoicacid, 3-iodo-5-nitro-benzoic acid, 5-iodo-3-nitrobenzoic acid
| Molecular Formula | C7H4INO4 |
|---|---|
| Molecular Weight | 292.92 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 292.91852 |
| Heavy Atoms | 13 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 6313-17-3 |
|---|---|
| SMILES | C1=C(C=C(C=C1[N+](=O)[O-])I)C(=O)O |
| InChIKey | GFGURBBHVJTXDU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Iodo-5-nitrobenzoic acid (CAS 6313-17-3), with molecular formula C7H4INO4 and molecular weight 292.92 g/mol. IUPAC: 3-iodo-5-nitrobenzoic acid.
Chemical Property Profile of 3-Iodo-5-nitrobenzoic acid
Property Insights of 3-Iodo-5-nitrobenzoic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Iodo-5-nitrobenzoic acid. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Iodo-5-nitrobenzoic acid. Following Lipinski's Rule of Five, 3-Iodo-5-nitrobenzoic acid has 1 hydrogen bond donor(s) and 4 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 3-Iodo-5-nitrobenzoic acid?
The CAS number of 3-Iodo-5-nitrobenzoic acid is 6313-17-3.
What is the molecular formula of 3-Iodo-5-nitrobenzoic acid?
The molecular formula of 3-Iodo-5-nitrobenzoic acid is C7H4INO4.
What is the molecular weight of 3-Iodo-5-nitrobenzoic acid?
The molecular weight of 3-Iodo-5-nitrobenzoic acid is 292.92 g/mol.
Where can I buy 3-Iodo-5-nitrobenzoic acid?
You can request a quote for 3-Iodo-5-nitrobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Iodo-5-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Iodo-5-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.