Benzoic acid, 4-((methylamino)carbonyl)-2,3,5,6-tetraiodo-
TL;DR: Benzoic acid, 4-((methylamino)carbonyl)-2,3,5,6-tetraiodo- (CAS 3942-57-2) is a chemical compound with molecular formula C9H5I4NO3 and molecular weight 682.64 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,5,6-tetraiodo-4-(methylcarbamoyl)benzoic acid
Also Known As: Tetrajodterephthalsaure-mono-methylamid, Tetrajodterephthalsaure-mono-methylamid [German], 2,3,5,6-tetraiodo-4-(methylcarbamoyl)benzoic acid, Terephthalamic acid, N-methyl-2,3,5,6-tetraiodo-, Benzoic acid, 4-((methylamino)carbonyl)-2,3,5,6-tetraiodo-
| Molecular Formula | C9H5I4NO3 |
|---|---|
| Molecular Weight | 682.64 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 682.6448 |
| Heavy Atoms | 17 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 3942-57-2 |
|---|---|
| SMILES | CNC(=O)C1=C(C(=C(C(=C1I)I)C(=O)O)I)I |
| InChIKey | KDDWOJDLSNMYCB-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 4-((methylamino)carbonyl)-2,3,5,6-tetraiodo- (CAS 3942-57-2), with molecular formula C9H5I4NO3 and molecular weight 682.64 g/mol. IUPAC: 2,3,5,6-tetraiodo-4-(methylcarbamoyl)benzoic acid.
Chemical Property Profile of Benzoic acid, 4-((methylamino)carbonyl)-2,3,5,6-tetraiodo-
Property Insights of Benzoic acid, 4-((methylamino)carbonyl)-2,3,5,6-tetraiodo-
The XLogP value of 3.3 indicates that Benzoic acid, 4-((methylamino)carbonyl)-2,3,5,6-tetraiodo- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-((methylamino)carbonyl)-2,3,5,6-tetraiodo-. Following Lipinski's Rule of Five, Benzoic acid, 4-((methylamino)carbonyl)-2,3,5,6-tetraiodo- 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 Benzoic acid, 4-((methylamino)carbonyl)-2,3,5,6-tetraiodo-?
The CAS number of Benzoic acid, 4-((methylamino)carbonyl)-2,3,5,6-tetraiodo- is 3942-57-2.
What is the molecular formula of Benzoic acid, 4-((methylamino)carbonyl)-2,3,5,6-tetraiodo-?
The molecular formula of Benzoic acid, 4-((methylamino)carbonyl)-2,3,5,6-tetraiodo- is C9H5I4NO3.
What is the molecular weight of Benzoic acid, 4-((methylamino)carbonyl)-2,3,5,6-tetraiodo-?
The molecular weight of Benzoic acid, 4-((methylamino)carbonyl)-2,3,5,6-tetraiodo- is 682.64 g/mol.
Where can I buy Benzoic acid, 4-((methylamino)carbonyl)-2,3,5,6-tetraiodo-?
You can request a quote for Benzoic acid, 4-((methylamino)carbonyl)-2,3,5,6-tetraiodo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-((methylamino)carbonyl)-2,3,5,6-tetraiodo-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-((methylamino)carbonyl)-2,3,5,6-tetraiodo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.