泛影酸
TL;DR: 泛影酸 (CAS 117-96-4) is a chemical compound with molecular formula C11H9I3N2O4 and molecular weight 613.77 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
泛影酸
3,5-diacetamido-2,4,6-triiodobenzoic acid
Also Known As: Diatrizoic acid, amidotrizoic acid, DIATRIZOATE, Amidotrizoate, Urogranoic acid
| Molecular Formula | C11H9I3N2O4 |
|---|---|
| Molecular Weight | 613.77 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 | 613.7696 |
| Heavy Atoms | 20 |
| Complexity | 390.0 |
| Melting Point | >250 |
| Solubility | VERY SLIGHTLY SOL IN WATER, ALCOHOL; SOL IN DIMETHYLFORMAMIDE, ALKALI HYDROXIDE SOLUTIONS |
Chemical Identifiers
| CAS Number | 117-96-4 |
|---|---|
| SMILES | CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)C)I |
| InChIKey | YVPYQUNUQOZFHG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
泛影酸 (CAS 117-96-4), with molecular formula C11H9I3N2O4 and molecular weight 613.77 g/mol. IUPAC: 3,5-diacetamido-2,4,6-triiodobenzoic acid.
Chemical Property Profile of 泛影酸
Property Insights of 泛影酸
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 泛影酸. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 泛影酸. Following Lipinski's Rule of Five, 泛影酸 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 泛影酸?
The CAS number of 泛影酸 is 117-96-4.
What is the molecular formula of 泛影酸?
The molecular formula of 泛影酸 is C11H9I3N2O4.
What is the molecular weight of 泛影酸?
The molecular weight of 泛影酸 is 613.77 g/mol.
Where can I buy 泛影酸?
You can request a quote for 泛影酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 泛影酸?
Yes, KEHONG BIO provides custom synthesis services for 泛影酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.