Iaans
TL;DR: Iaans (CAS 57450-03-0) is a chemical compound with molecular formula C18H15IN2O4S and molecular weight 481.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[4-[(2-iodoacetyl)amino]anilino]naphthalene-2-sulfonic acid
Also Known As: IAANS, spiro[cyclopentane-1,2'(3'H)-[1H]perimidine], 2-(4'-(2''-Iodoacetamido)phenyl)aminonaphthalene-6-sulfonic acid, 6-((4-((2-iodoacetyl)amino)phenyl)amino)-2-naphthalenesulfonic acid, 2-(4-(2-Iodoacetamido)phenyl)aminonaphthalene-6-sulfonic acid
| Molecular Formula | C18H15IN2O4S |
|---|---|
| Molecular Weight | 481.98 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 481.97974 |
| Heavy Atoms | 26 |
| Complexity | 586.0 |
Chemical Identifiers
| CAS Number | 57450-03-0 |
|---|---|
| SMILES | C1=CC(=CC=C1NC2=CC3=C(C=C2)C=C(C=C3)S(=O)(=O)O)NC(=O)CI |
| InChIKey | APZRMCOINHOQTE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Iaans (CAS 57450-03-0), with molecular formula C18H15IN2O4S and molecular weight 481.98 g/mol. IUPAC: 6-[4-[(2-iodoacetyl)amino]anilino]naphthalene-2-sulfonic acid.
Chemical Property Profile of Iaans
Property Insights of Iaans
The XLogP value of 3.3 indicates that Iaans is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Iaans. Following Lipinski's Rule of Five, Iaans has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Iaans?
The CAS number of Iaans is 57450-03-0.
What is the molecular formula of Iaans?
The molecular formula of Iaans is C18H15IN2O4S.
What is the molecular weight of Iaans?
The molecular weight of Iaans is 481.98 g/mol.
Where can I buy Iaans?
You can request a quote for Iaans directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Iaans?
Yes, KEHONG BIO provides custom synthesis services for Iaans and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.