Benzoic acid, 3-(acetylamino)-2,4,6-triiodo-5-((methylamino)carbonyl)-, ion(1-)
TL;DR: Benzoic acid, 3-(acetylamino)-2,4,6-triiodo-5-((methylamino)carbonyl)-, ion(1-) (CAS 71746-19-5) is a chemical compound with molecular formula C11H8I3N2O4- and molecular weight 612.76 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoate
Also Known As: 3-(acetylamino)-2,4,6-triiodo-5-(methylcarbamoyl)benzoate, 3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoate, Benzoic acid, 3-(acetylamino)-2,4,6-triiodo-5-((methylamino)carbonyl)-, ion(1-), 3-(Acetylamino)-2,4,6-triiodo-5-((methylamino)carbonyl)benzoic acid ion(1-), N-{3-Carboxy-5-[hydroxy(methylimino)methyl]-2,4,6-triiodophenyl}ethanimidate
| Molecular Formula | C11H8I3N2O4- |
|---|---|
| Molecular Weight | 612.76 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 98.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 612.7618 |
| Heavy Atoms | 20 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 71746-19-5 |
|---|---|
| SMILES | CC(=O)NC1=C(C(=C(C(=C1I)C(=O)[O-])I)C(=O)NC)I |
| InChIKey | UXIGWFXRQKWHHA-UHFFFAOYSA-M |
Product Overview
Benzoic acid, 3-(acetylamino)-2,4,6-triiodo-5-((methylamino)carbonyl)-, ion(1-) (CAS 71746-19-5), with molecular formula C11H8I3N2O4- and molecular weight 612.76 g/mol. IUPAC: 3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoate.
Chemical Property Profile of Benzoic acid, 3-(acetylamino)-2,4,6-triiodo-5-((methylamino)carbonyl)-, ion(1-)
Property Insights of Benzoic acid, 3-(acetylamino)-2,4,6-triiodo-5-((methylamino)carbonyl)-, ion(1-)
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 3-(acetylamino)-2,4,6-triiodo-5-((methylamino)carbonyl)-, ion(1-). The TPSA of 98.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 3-(acetylamino)-2,4,6-triiodo-5-((methylamino)carbonyl)-, ion(1-). Following Lipinski's Rule of Five, Benzoic acid, 3-(acetylamino)-2,4,6-triiodo-5-((methylamino)carbonyl)-, ion(1-) has 2 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 Benzoic acid, 3-(acetylamino)-2,4,6-triiodo-5-((methylamino)carbonyl)-, ion(1-)?
The CAS number of Benzoic acid, 3-(acetylamino)-2,4,6-triiodo-5-((methylamino)carbonyl)-, ion(1-) is 71746-19-5.
What is the molecular formula of Benzoic acid, 3-(acetylamino)-2,4,6-triiodo-5-((methylamino)carbonyl)-, ion(1-)?
The molecular formula of Benzoic acid, 3-(acetylamino)-2,4,6-triiodo-5-((methylamino)carbonyl)-, ion(1-) is C11H8I3N2O4-.
What is the molecular weight of Benzoic acid, 3-(acetylamino)-2,4,6-triiodo-5-((methylamino)carbonyl)-, ion(1-)?
The molecular weight of Benzoic acid, 3-(acetylamino)-2,4,6-triiodo-5-((methylamino)carbonyl)-, ion(1-) is 612.76 g/mol.
Where can I buy Benzoic acid, 3-(acetylamino)-2,4,6-triiodo-5-((methylamino)carbonyl)-, ion(1-)?
You can request a quote for Benzoic acid, 3-(acetylamino)-2,4,6-triiodo-5-((methylamino)carbonyl)-, ion(1-) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 3-(acetylamino)-2,4,6-triiodo-5-((methylamino)carbonyl)-, ion(1-)?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3-(acetylamino)-2,4,6-triiodo-5-((methylamino)carbonyl)-, ion(1-) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.