碘曲酸
TL;DR: 碘曲酸 (CAS 22806-79-7) is a chemical compound with molecular formula C11H9I3N2O5 and molecular weight 629.76 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
碘曲酸
3-acetamido-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodobenzoic acid
Also Known As: Ioxotrizoic acid, Acido ioxotrizoico, Acide ioxotrizoique, Ioxotrizoic acid [USAN:INN], H248 AB
| Molecular Formula | C11H9I3N2O5 |
|---|---|
| Molecular Weight | 629.76 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 629.7646 |
| Heavy Atoms | 21 |
| Complexity | 436.0 |
Chemical Identifiers
| CAS Number | 22806-79-7 |
|---|---|
| SMILES | CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)CO)I |
| InChIKey | KISFRFNQZTVXGT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
碘曲酸 (CAS 22806-79-7), with molecular formula C11H9I3N2O5 and molecular weight 629.76 g/mol. IUPAC: 3-acetamido-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodobenzoic acid.
Chemical Property Profile of 碘曲酸
Property Insights of 碘曲酸
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 碘曲酸. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 碘曲酸. Following Lipinski's Rule of Five, 碘曲酸 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 碘曲酸?
The CAS number of 碘曲酸 is 22806-79-7.
What is the molecular formula of 碘曲酸?
The molecular formula of 碘曲酸 is C11H9I3N2O5.
What is the molecular weight of 碘曲酸?
The molecular weight of 碘曲酸 is 629.76 g/mol.
Where can I buy 碘曲酸?
You can request a quote for 碘曲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 碘曲酸?
Yes, KEHONG BIO provides custom synthesis services for 碘曲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.