Benzoic acid, 3-acetamido-5-(2-hydroxyethylcarbamoylmethyl)-2,4,6-triiodo-
TL;DR: Benzoic acid, 3-acetamido-5-(2-hydroxyethylcarbamoylmethyl)-2,4,6-triiodo- (CAS 40590-66-7) is a chemical compound with molecular formula C13H13I3N2O5 and molecular weight 657.80 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetamido-5-[2-(2-hydroxyethylamino)-2-oxoethyl]-2,4,6-triiodobenzoic acid
Also Known As: BENZOIC ACID, 3-ACETAMIDO-5-(2-HYDROXYETHYLCARBAMOYLMETHYL)-2,4,6-TRIIODO-, Acetanilide, 3-carboxy-5-(2-hydroxyethylcarbamoylmethyl)-2,4,6-triiodo-, Acetanilide,5-carbamoylmethyl-3-carboxy-2,4,6-triiodo, 3-acetamido-5-[2-(2-hydroxyethylamino)-2-oxoethyl]-2,4,6-triiodobenzoic acid, 3-(Acetylamino)-5-[2-[(2-hydroxyethyl)amino]-2-oxoethyl]-2,4,6-triiodobenzoic acid
| Molecular Formula | C13H13I3N2O5 |
|---|---|
| Molecular Weight | 657.80 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 657.7959 |
| Heavy Atoms | 23 |
| Complexity | 465.0 |
Chemical Identifiers
| CAS Number | 40590-66-7 |
|---|---|
| SMILES | CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)CC(=O)NCCO)I |
| InChIKey | AMZAGJCNCHZARH-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 3-acetamido-5-(2-hydroxyethylcarbamoylmethyl)-2,4,6-triiodo- (CAS 40590-66-7), with molecular formula C13H13I3N2O5 and molecular weight 657.80 g/mol. IUPAC: 3-acetamido-5-[2-(2-hydroxyethylamino)-2-oxoethyl]-2,4,6-triiodobenzoic acid.
Chemical Property Profile of Benzoic acid, 3-acetamido-5-(2-hydroxyethylcarbamoylmethyl)-2,4,6-triiodo-
Property Insights of Benzoic acid, 3-acetamido-5-(2-hydroxyethylcarbamoylmethyl)-2,4,6-triiodo-
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 3-acetamido-5-(2-hydroxyethylcarbamoylmethyl)-2,4,6-triiodo-. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 3-acetamido-5-(2-hydroxyethylcarbamoylmethyl)-2,4,6-triiodo-. Following Lipinski's Rule of Five, Benzoic acid, 3-acetamido-5-(2-hydroxyethylcarbamoylmethyl)-2,4,6-triiodo- has 4 hydrogen bond donor(s) and 5 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-acetamido-5-(2-hydroxyethylcarbamoylmethyl)-2,4,6-triiodo-?
The CAS number of Benzoic acid, 3-acetamido-5-(2-hydroxyethylcarbamoylmethyl)-2,4,6-triiodo- is 40590-66-7.
What is the molecular formula of Benzoic acid, 3-acetamido-5-(2-hydroxyethylcarbamoylmethyl)-2,4,6-triiodo-?
The molecular formula of Benzoic acid, 3-acetamido-5-(2-hydroxyethylcarbamoylmethyl)-2,4,6-triiodo- is C13H13I3N2O5.
What is the molecular weight of Benzoic acid, 3-acetamido-5-(2-hydroxyethylcarbamoylmethyl)-2,4,6-triiodo-?
The molecular weight of Benzoic acid, 3-acetamido-5-(2-hydroxyethylcarbamoylmethyl)-2,4,6-triiodo- is 657.80 g/mol.
Where can I buy Benzoic acid, 3-acetamido-5-(2-hydroxyethylcarbamoylmethyl)-2,4,6-triiodo-?
You can request a quote for Benzoic acid, 3-acetamido-5-(2-hydroxyethylcarbamoylmethyl)-2,4,6-triiodo- 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-acetamido-5-(2-hydroxyethylcarbamoylmethyl)-2,4,6-triiodo-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3-acetamido-5-(2-hydroxyethylcarbamoylmethyl)-2,4,6-triiodo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.