![3-Amino-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoic acid structure](/static/products/2280/2280-89-9.webp)
3-Amino-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoic acid
TL;DR: 3-Amino-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoic acid (CAS 2280-89-9) is a chemical compound with molecular formula C9H7I3N2O3 and molecular weight 571.76 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid
Also Known As: 5-amino-2,4,6-triiodo-N-methylisophthalamic acid, 3-amino-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid, EC 218-917-1, 3-Amino-2,4,6-triiodo-5-((methylamino)carbonyl)benzoic acid, 5-amino-3-carboxy-2,4,6-triiodo-n-methylbenzamide
| Molecular Formula | C9H7I3N2O3 |
|---|---|
| Molecular Weight | 571.76 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 571.7591 |
| Heavy Atoms | 17 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 2280-89-9 |
|---|---|
| SMILES | CNC(=O)C1=C(C(=C(C(=C1I)N)I)C(=O)O)I |
| InChIKey | AKXKBAWZIVNNJR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Amino-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoic acid (CAS 2280-89-9), with molecular formula C9H7I3N2O3 and molecular weight 571.76 g/mol. IUPAC: 3-amino-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid.
Chemical Property Profile of 3-Amino-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoic acid
Property Insights of 3-Amino-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoic acid. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoic acid. Following Lipinski's Rule of Five, 3-Amino-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoic acid has 3 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 3-Amino-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoic acid?
The CAS number of 3-Amino-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoic acid is 2280-89-9.
What is the molecular formula of 3-Amino-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoic acid?
The molecular formula of 3-Amino-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoic acid is C9H7I3N2O3.
What is the molecular weight of 3-Amino-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoic acid?
The molecular weight of 3-Amino-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoic acid is 571.76 g/mol.
Where can I buy 3-Amino-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoic acid?
You can request a quote for 3-Amino-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.