3-Acetamido-5-(ethylcarbamoyl)-2,4,6-triiodobenzoic acid
TL;DR: 3-Acetamido-5-(ethylcarbamoyl)-2,4,6-triiodobenzoic acid (CAS 2281-07-4) is a chemical compound with molecular formula C12H11I3N2O4 and molecular weight 627.79 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetamido-5-(ethylcarbamoyl)-2,4,6-triiodobenzoic acid
Also Known As: 3-acetamido-5-(ethylcarbamoyl)-2,4,6-triiodobenzoic acid, 3-Acetylamino-5- -2,4,6-triiodobenzoicacid, 3-acetamido-5-(ethylcarbamoyl)-2,4,6-triiodo-benzoic Acid, 3-Acetylamino-5-(ethylcarbamoyl)-2,4,6-triiodobenzoic acid, 3-(acetylamino)-5-(ethylcarbamoyl)-2,4,6-triiodobenzoic acid
| Molecular Formula | C12H11I3N2O4 |
|---|---|
| Molecular Weight | 627.79 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 95.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 627.7853 |
| Heavy Atoms | 21 |
| Complexity | 435.0 |
Chemical Identifiers
| CAS Number | 2281-07-4 |
|---|---|
| SMILES | CCNC(=O)C1=C(C(=C(C(=C1I)NC(=O)C)I)C(=O)O)I |
| InChIKey | MEEIUFXPBUXITI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Acetamido-5-(ethylcarbamoyl)-2,4,6-triiodobenzoic acid (CAS 2281-07-4), with molecular formula C12H11I3N2O4 and molecular weight 627.79 g/mol. IUPAC: 3-acetamido-5-(ethylcarbamoyl)-2,4,6-triiodobenzoic acid.
Chemical Property Profile of 3-Acetamido-5-(ethylcarbamoyl)-2,4,6-triiodobenzoic acid
Property Insights of 3-Acetamido-5-(ethylcarbamoyl)-2,4,6-triiodobenzoic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Acetamido-5-(ethylcarbamoyl)-2,4,6-triiodobenzoic acid. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Acetamido-5-(ethylcarbamoyl)-2,4,6-triiodobenzoic acid. Following Lipinski's Rule of Five, 3-Acetamido-5-(ethylcarbamoyl)-2,4,6-triiodobenzoic 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-Acetamido-5-(ethylcarbamoyl)-2,4,6-triiodobenzoic acid?
The CAS number of 3-Acetamido-5-(ethylcarbamoyl)-2,4,6-triiodobenzoic acid is 2281-07-4.
What is the molecular formula of 3-Acetamido-5-(ethylcarbamoyl)-2,4,6-triiodobenzoic acid?
The molecular formula of 3-Acetamido-5-(ethylcarbamoyl)-2,4,6-triiodobenzoic acid is C12H11I3N2O4.
What is the molecular weight of 3-Acetamido-5-(ethylcarbamoyl)-2,4,6-triiodobenzoic acid?
The molecular weight of 3-Acetamido-5-(ethylcarbamoyl)-2,4,6-triiodobenzoic acid is 627.79 g/mol.
Where can I buy 3-Acetamido-5-(ethylcarbamoyl)-2,4,6-triiodobenzoic acid?
You can request a quote for 3-Acetamido-5-(ethylcarbamoyl)-2,4,6-triiodobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Acetamido-5-(ethylcarbamoyl)-2,4,6-triiodobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetamido-5-(ethylcarbamoyl)-2,4,6-triiodobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.