Diatrizoic acid I-131
TL;DR: Diatrizoic acid I-131 (CAS 15522-36-8) is a chemical compound with molecular formula C11H9I3N2O4 and molecular weight 625.77 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-diacetamido-2,4,6-tri(131I)iodo(131I3)benzoic acid
Also Known As: Diatrizoic acid I-131, Diatrizoate I-131, Diatrizoic acid, 3,5-diacetamido-2,4,6-tris(iodanyl)benzoic acid, Benzoic acid, 3,5-diacetamido-2,4,6-triiodo-, labeled with iodine-131
| Molecular Formula | C11H9I3N2O4 |
|---|---|
| Molecular Weight | 625.77 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 95.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 625.7746 |
| Heavy Atoms | 20 |
| Complexity | 390.0 |
Chemical Identifiers
| CAS Number | 15522-36-8 |
|---|---|
| SMILES | CC(=O)NC1=C(C(=C(C(=C1[131I])C(=O)O)[131I])NC(=O)C)[131I] |
| InChIKey | YVPYQUNUQOZFHG-LPJQMLIDSA-N |
Product Overview
Diatrizoic acid I-131 (CAS 15522-36-8), with molecular formula C11H9I3N2O4 and molecular weight 625.77 g/mol. IUPAC: 3,5-diacetamido-2,4,6-tri(131I)iodo(131I3)benzoic acid.
Chemical Property Profile of Diatrizoic acid I-131
Property Insights of Diatrizoic acid I-131
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diatrizoic acid I-131. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Diatrizoic acid I-131. Following Lipinski's Rule of Five, Diatrizoic acid I-131 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 Diatrizoic acid I-131?
The CAS number of Diatrizoic acid I-131 is 15522-36-8.
What is the molecular formula of Diatrizoic acid I-131?
The molecular formula of Diatrizoic acid I-131 is C11H9I3N2O4.
What is the molecular weight of Diatrizoic acid I-131?
The molecular weight of Diatrizoic acid I-131 is 625.77 g/mol.
Where can I buy Diatrizoic acid I-131?
You can request a quote for Diatrizoic acid I-131 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diatrizoic acid I-131?
Yes, KEHONG BIO provides custom synthesis services for Diatrizoic acid I-131 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.