ICE抑制剂
TL;DR: ICE抑制剂 (CAS 169332-60-9) 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.
ICE抑制剂
4-[(2-acetamido-3-carboxypropanoyl)amino]-5-[[1-[(1-carboxy-3-oxopropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
Also Known As: ICE INHIBITOR, CPP32/Apopain Inhibitor, Caspase-3 Inhibitor I, N-acetyl-asp-glu-val-asp-al, AL010
| 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 | 169332-60-9 |
|---|---|
| SMILES | CC(C)C(C(=O)NC(CC(=O)O)C=O)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C |
| InChIKey | UMBVAPCONCILTL-UHFFFAOYSA-N |
Product Overview
ICE抑制剂 (CAS 169332-60-9), with molecular formula C20H30N4O11 and molecular weight 502.19 g/mol. IUPAC: 4-[(2-acetamido-3-carboxypropanoyl)amino]-5-[[1-[(1-carboxy-3-oxopropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid.
Chemical Property Profile of ICE抑制剂
Property Insights of ICE抑制剂
The XLogP value of -2.6 indicates that ICE抑制剂 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 245.0 Ų indicates high polarity, suggesting ICE抑制剂 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ICE抑制剂 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 ICE抑制剂?
The CAS number of ICE抑制剂 is 169332-60-9.
What is the molecular formula of ICE抑制剂?
The molecular formula of ICE抑制剂 is C20H30N4O11.
What is the molecular weight of ICE抑制剂?
The molecular weight of ICE抑制剂 is 502.19 g/mol.
Where can I buy ICE抑制剂?
You can request a quote for ICE抑制剂 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ICE抑制剂?
Yes, KEHONG BIO provides custom synthesis services for ICE抑制剂 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.