Ici 198615
TL;DR: Ici 198615 (CAS 104448-53-5) is a chemical compound with molecular formula C28H28N4O6S and molecular weight 548.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclopentyl N-[1-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methyl]indazol-6-yl]carbamate
Also Known As: Ici 198615, Ici-198,615, [3H]ICI198615, ZM-198,615, [3H]-ICI198615
| Molecular Formula | C28H28N4O6S |
|---|---|
| Molecular Weight | 548.17 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 548.173 |
| Heavy Atoms | 39 |
| Complexity | 946.0 |
Chemical Identifiers
| CAS Number | 104448-53-5 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C(=O)NS(=O)(=O)C2=CC=CC=C2)CN3C4=C(C=CC(=C4)NC(=O)OC5CCCC5)C=N3 |
| InChIKey | YRCPIXCRSAKRGM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ici 198615 (CAS 104448-53-5), with molecular formula C28H28N4O6S and molecular weight 548.17 g/mol. IUPAC: cyclopentyl N-[1-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methyl]indazol-6-yl]carbamate.
Chemical Property Profile of Ici 198615
Property Insights of Ici 198615
The XLogP value of 4.4 indicates that Ici 198615 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ici 198615. Following Lipinski's Rule of Five, Ici 198615 has 2 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 Ici 198615?
The CAS number of Ici 198615 is 104448-53-5.
What is the molecular formula of Ici 198615?
The molecular formula of Ici 198615 is C28H28N4O6S.
What is the molecular weight of Ici 198615?
The molecular weight of Ici 198615 is 548.17 g/mol.
Where can I buy Ici 198615?
You can request a quote for Ici 198615 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ici 198615?
Yes, KEHONG BIO provides custom synthesis services for Ici 198615 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.