Ioseric acid
TL;DR: Ioseric acid (CAS 51876-99-4) is a chemical compound with molecular formula C15H16I3N3O7 and molecular weight 730.81 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Ioseric acid
3-[[3-hydroxy-1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-2,4,6-triiodo-5-[(2-methoxyacetyl)amino]benzoic acid
Also Known As: Ioseric acid, iosericacid, Acide ioserique, Acido ioserico, Acidum iosericum
| Molecular Formula | C15H16I3N3O7 |
|---|---|
| Molecular Weight | 730.81 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 154.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 730.8122 |
| Heavy Atoms | 28 |
| Complexity | 609.0 |
Chemical Identifiers
| CAS Number | 51876-99-4 |
|---|---|
| SMILES | CNC(=O)C(CO)NC(=O)C1=C(C(=C(C(=C1I)NC(=O)COC)I)C(=O)O)I |
| InChIKey | NPCYYZYVQAQDBM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ioseric acid (CAS 51876-99-4), with molecular formula C15H16I3N3O7 and molecular weight 730.81 g/mol. IUPAC: 3-[[3-hydroxy-1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-2,4,6-triiodo-5-[(2-methoxyacetyl)amino]benzoic acid.
Chemical Property Profile of Ioseric acid
Property Insights of Ioseric acid
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ioseric acid. The TPSA of 154.0 Ų indicates high polarity, suggesting Ioseric acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ioseric acid has 5 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ioseric acid?
The CAS number of Ioseric acid is 51876-99-4.
What is the molecular formula of Ioseric acid?
The molecular formula of Ioseric acid is C15H16I3N3O7.
What is the molecular weight of Ioseric acid?
The molecular weight of Ioseric acid is 730.81 g/mol.
Where can I buy Ioseric acid?
You can request a quote for Ioseric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ioseric acid?
Yes, KEHONG BIO provides custom synthesis services for Ioseric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.