Ici 200880
TL;DR: Ici 200880 (CAS 105080-50-0) is a chemical compound with molecular formula C30H34ClF3N4O7S and molecular weight 686.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N-(4-chlorophenyl)sulfonyl-1-N-[(2S)-3-methyl-1-oxo-1-[[(2S)-1-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)pyrrolidine-2-carbonyl]amino]butan-2-yl]benzene-1,4-dicarboxamide
Also Known As: Ici 200880, Ici 200,880, 4-N-(4-chlorophenyl)sulfonyl-1-N-[(2S)-3-methyl-1-oxo-1-[[(2S)-1-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)pyrrolidine-2-carbonyl]amino]butan-2-yl]benzene-1,4-dicarboxamide, 4-(4-Chlorophenylsulfonylcarbamoyl)benzoyl-valyl-prolyl-1-(1-trifluoroacetyl-2-methylprolyl)amide, L-Prolinamide, N-(4-((((4-chlorophenyl)sulfonyl)amino)carbonyl)benzoyl)-L-valyl-N-(3,3,3-trifluoro-1-(1-methylethyl)-2-oxopropyl)-
| Molecular Formula | C30H34ClF3N4O7S |
|---|---|
| Molecular Weight | 686.18 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 167.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 11 |
| Exact Mass | 686.1789 |
| Heavy Atoms | 46 |
| Complexity | 1240.0 |
Chemical Identifiers
| CAS Number | 105080-50-0 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)NC(=O)[C@@H]1CCCN1C(C(C)C)C(=O)C(F)(F)F)NC(=O)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC=C(C=C3)Cl |
| InChIKey | SMCMGLCPSSSOQE-NTZARQNWSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ici 200880 (CAS 105080-50-0), with molecular formula C30H34ClF3N4O7S and molecular weight 686.18 g/mol. IUPAC: 4-N-(4-chlorophenyl)sulfonyl-1-N-[(2S)-3-methyl-1-oxo-1-[[(2S)-1-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)pyrrolidine-2-carbonyl]amino]butan-2-yl]benzene-1,4-dicarboxamide.
Chemical Property Profile of Ici 200880
Property Insights of Ici 200880
The XLogP value of 5.5 indicates that Ici 200880 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 167.0 Ų indicates high polarity, suggesting Ici 200880 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ici 200880 has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ici 200880?
The CAS number of Ici 200880 is 105080-50-0.
What is the molecular formula of Ici 200880?
The molecular formula of Ici 200880 is C30H34ClF3N4O7S.
What is the molecular weight of Ici 200880?
The molecular weight of Ici 200880 is 686.18 g/mol.
Where can I buy Ici 200880?
You can request a quote for Ici 200880 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ici 200880?
Yes, KEHONG BIO provides custom synthesis services for Ici 200880 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.