Caspase-3 Inhibitor I
TL;DR: Caspase-3 Inhibitor I (CAS 1159966-99-0) is a chemical compound with molecular formula C20H30N4O11 and molecular weight 502.19 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-3-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
Also Known As: Caspase-3 Inhibitor I, N-acetyl-asp-glu-val-asp-al, CPP32/Apopain Inhibitor, 2h5i, N-Ac-Asp-Glu-Val-Asp-CHO
| Molecular Formula | C20H30N4O11 |
|---|---|
| Molecular Weight | 502.19 g/mol |
| LogP | -2.6 |
| Topological Polar Surface Area | 245.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 16 |
| Exact Mass | 502.1911 |
| Heavy Atoms | 35 |
| Complexity | 843.0 |
Chemical Identifiers
| CAS Number | 1159966-99-0 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)N[C@@H](CC(=O)O)C=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)C |
| InChIKey | UMBVAPCONCILTL-MRHIQRDNSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Caspase-3 Inhibitor I (CAS 1159966-99-0), with molecular formula C20H30N4O11 and molecular weight 502.19 g/mol. IUPAC: (4S)-4-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-5-[[(2S)-1-[[(2S)-1-carboxy-3-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid.
Chemical Property Profile of Caspase-3 Inhibitor I
Property Insights of Caspase-3 Inhibitor I
The XLogP value of -2.6 indicates that Caspase-3 Inhibitor I is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 245.0 Ų indicates high polarity, suggesting Caspase-3 Inhibitor I may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Caspase-3 Inhibitor I has 7 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 Caspase-3 Inhibitor I?
The CAS number of Caspase-3 Inhibitor I is 1159966-99-0.
What is the molecular formula of Caspase-3 Inhibitor I?
The molecular formula of Caspase-3 Inhibitor I is C20H30N4O11.
What is the molecular weight of Caspase-3 Inhibitor I?
The molecular weight of Caspase-3 Inhibitor I is 502.19 g/mol.
Where can I buy Caspase-3 Inhibitor I?
You can request a quote for Caspase-3 Inhibitor I 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 I?
Yes, KEHONG BIO provides custom synthesis services for Caspase-3 Inhibitor I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.