Caspase-3 Inhibitor III
TL;DR: Caspase-3 Inhibitor III (CAS 285570-60-7) is a chemical compound with molecular formula C21H31ClN4O11 and molecular weight 550.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S)-4-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-5-[[(2S)-1-[[(2S)-1-carboxy-4-chloro-3-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
Also Known As: Caspase-3 Inhibitor III, acetyl-Asp-Glu-Val-Asp-chloromethyl ketone, N-acetyl-Asp-Glu-Val-Asp-chloromethylketone, J1.332.721A, (Ac-L-Asp-L-Glu-L-Val-L-Asp-)Chloromethane
| Molecular Formula | C21H31ClN4O11 |
|---|---|
| Molecular Weight | 550.17 g/mol |
| LogP | -1.7764 |
| Topological Polar Surface Area | 245.37 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 17 |
| Exact Mass | 550.1678 |
| Heavy Atoms | 37 |
| Complexity | 892.9266 |
Chemical Identifiers
| CAS Number | 285570-60-7 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)CCl)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)C |
Product Overview
Caspase-3 Inhibitor III (CAS 285570-60-7), with molecular formula C21H31ClN4O11 and molecular weight 550.17 g/mol. IUPAC: (4S)-4-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-5-[[(2S)-1-[[(2S)-1-carboxy-4-chloro-3-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid.
Chemical Property Profile of Caspase-3 Inhibitor III
Property Insights of Caspase-3 Inhibitor III
The XLogP value of -1.7764 indicates that Caspase-3 Inhibitor III is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 245.37 Ų indicates high polarity, suggesting Caspase-3 Inhibitor III may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Caspase-3 Inhibitor III has 7 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Caspase-3 Inhibitor III?
The CAS number of Caspase-3 Inhibitor III is 285570-60-7.
What is the molecular formula of Caspase-3 Inhibitor III?
The molecular formula of Caspase-3 Inhibitor III is C21H31ClN4O11.
What is the molecular weight of Caspase-3 Inhibitor III?
The molecular weight of Caspase-3 Inhibitor III is 550.17 g/mol.
Where can I buy Caspase-3 Inhibitor III?
You can request a quote for Caspase-3 Inhibitor III directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Caspase-3 Inhibitor III?
Yes, KEHONG BIO provides custom synthesis services for Caspase-3 Inhibitor III and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.