Ici 200880
TL;DR: Ici 200880 (CAS 105080-50-0) is a chemical compound with molecular formula C30H34ClF3N4O7S and molecular weight 686.1789 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
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)-
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C30H34ClF3N4O7S |
| Molecular Weight | 686.1789 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 167.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 11 |
| Exact Mass | 686.1789 Da |
| Heavy Atoms | 46 |
| Complexity | 1240.0 |
| 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 |
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
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 686.1789 g/mol.
Where can I buy Ici 200880?
You can request a quote for Ici 200880 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ici 200880?
Yes, CoreyChem provides custom synthesis services for Ici 200880 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.