3-Acetamido-2,4,6-triiodo-benzoate
TL;DR: 3-Acetamido-2,4,6-triiodo-benzoate (CAS 22154-43-4) is a chemical compound with molecular formula C16H23I3N2O8 and molecular weight 751.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetamido-2,4,6-triiodobenzoic acid;6-(methylamino)hexane-1,2,3,4,5-pentol
Also Known As: 3-acetamido-2,4,6-triiodo-benzoate, 1-deoxy-1-(methylammonio)-D-glucitol 3-(acetylamino)-2,4,6-triiodobenzoate, 3-acetamido-2,4,6-triiodobenzoic acid; 6-(methylamino)hexane-1,2,3,4,5-pentol
| Molecular Formula | C16H23I3N2O8 |
|---|---|
| Molecular Weight | 751.86 g/mol |
| LogP | -0.2013 |
| Topological Polar Surface Area | 180.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 751.8589 |
| Heavy Atoms | 29 |
| Complexity | 434.0 |
Chemical Identifiers
| CAS Number | 22154-43-4 |
|---|---|
| SMILES | CC(=O)NC1=C(C=C(C(=C1I)C(=O)O)I)I.CNCC(C(C(C(CO)O)O)O)O |
| InChIKey | CUNJTOHTJOOFJQ-UHFFFAOYSA-N |
Product Overview
3-Acetamido-2,4,6-triiodo-benzoate (CAS 22154-43-4), with molecular formula C16H23I3N2O8 and molecular weight 751.86 g/mol. IUPAC: 3-acetamido-2,4,6-triiodobenzoic acid;6-(methylamino)hexane-1,2,3,4,5-pentol.
Chemical Property Profile of 3-Acetamido-2,4,6-triiodo-benzoate
Property Insights of 3-Acetamido-2,4,6-triiodo-benzoate
The XLogP value of -0.2013 indicates that 3-Acetamido-2,4,6-triiodo-benzoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 180.0 Ų indicates high polarity, suggesting 3-Acetamido-2,4,6-triiodo-benzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-Acetamido-2,4,6-triiodo-benzoate has 8 hydrogen bond donor(s) and 9 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-2,4,6-triiodo-benzoate?
The CAS number of 3-Acetamido-2,4,6-triiodo-benzoate is 22154-43-4.
What is the molecular formula of 3-Acetamido-2,4,6-triiodo-benzoate?
The molecular formula of 3-Acetamido-2,4,6-triiodo-benzoate is C16H23I3N2O8.
What is the molecular weight of 3-Acetamido-2,4,6-triiodo-benzoate?
The molecular weight of 3-Acetamido-2,4,6-triiodo-benzoate is 751.86 g/mol.
Where can I buy 3-Acetamido-2,4,6-triiodo-benzoate?
You can request a quote for 3-Acetamido-2,4,6-triiodo-benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Acetamido-2,4,6-triiodo-benzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetamido-2,4,6-triiodo-benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.