Caspase-1 Inhibitor II
TL;DR: Caspase-1 Inhibitor II (CAS 178603-78-6) is a chemical compound with molecular formula C24H33ClN4O8 and molecular weight 540.19867 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[2-[[2-[[2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]propanoylamino]-5-chloro-4-oxopentanoic acid
Also Known As: Caspase-1 Inhibitor II, Caspase-1 Inhibitor II;, acetyl-Tyr-Val-Ala-Asp-chloromethylketone, Acetyl-L-Tyrosyl-L-Valyl-L-Lysyl-L-Aspart-1-al, (4S,7S,10S,13S)-13-(2-chloroacetyl)-4-(4-hydroxybenzyl)-7-isopropyl-10-methyl-2,5,8,11-tetraoxo-3,6,9,12-tetraazapentadecan-15-oic acid
Technical Specifications
| Molecular Formula | C24H33ClN4O8 |
| Molecular Weight | 540.19867 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 191.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 14 |
| Exact Mass | 540.19867 Da |
| Heavy Atoms | 37 |
| Complexity | 845.0 |
| SMILES | CC(C)C(C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)CCl)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C |
| InChIKey | UOUBHJRCKHLGFB-UHFFFAOYSA-N |
Chemical Property Profile of Caspase-1 Inhibitor II
Property Insights of Caspase-1 Inhibitor II
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Caspase-1 Inhibitor II. The TPSA of 191.0 Ų indicates high polarity, suggesting Caspase-1 Inhibitor II may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Caspase-1 Inhibitor II has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Caspase-1 Inhibitor II?
The CAS number of Caspase-1 Inhibitor II is 178603-78-6.
What is the molecular formula of Caspase-1 Inhibitor II?
The molecular formula of Caspase-1 Inhibitor II is C24H33ClN4O8.
What is the molecular weight of Caspase-1 Inhibitor II?
The molecular weight of Caspase-1 Inhibitor II is 540.19867 g/mol.
Where can I buy Caspase-1 Inhibitor II?
You can request a quote for Caspase-1 Inhibitor II directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Caspase-1 Inhibitor II?
Yes, CoreyChem provides custom synthesis services for Caspase-1 Inhibitor II and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.