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Ici 198615 structure
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Ici 198615

TL;DR: Ici 198615 (CAS 104448-53-5) is a chemical compound with molecular formula C28H28N4O6S and molecular weight 548.173 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

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

CAS Number
104448-53-5
Molecular Formula
C28H28N4O6S
Molecular Weight
548.173 g/mol
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Application Areas

Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.

Heterocyclic Building Blocks (15 patents) Pharmaceutical Intermediates (3 patents)

Technical Specifications

Molecular FormulaC28H28N4O6S
Molecular Weight548.173 g/mol
XLogP4.4
Topological Polar Surface Area (TPSA)137.0 Ų
Hydrogen Bond Donors2
Hydrogen Bond Acceptors7
Rotatable Bonds9
Exact Mass548.173 Da
Heavy Atoms39
Complexity946.0
SMILESCOC1=C(C=CC(=C1)C(=O)NS(=O)(=O)C2=CC=CC=C2)CN3C4=C(C=CC(=C4)NC(=O)OC5CCCC5)C=N3
InChIKeyYRCPIXCRSAKRGM-UHFFFAOYSA-N

Chemical Property Profile of Ici 198615

XLogP
4.4
TPSA (Topological Polar Surface Area)
137.0
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
7
Rotatable Bonds
9
Heavy Atoms
39
Complexity
946.0
Exact Mass
548.173
Monoisotopic Mass
548.173
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

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

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 548.173 g/mol.

Where can I buy Ici 198615?

You can request a quote for Ici 198615 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for Ici 198615?

Yes, CoreyChem provides custom synthesis services for Ici 198615 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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