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ICE INHIBITOR structure
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ICE INHIBITOR

TL;DR: ICE INHIBITOR (CAS 169332-60-9) is a chemical compound with molecular formula C20H30N4O11 and molecular weight 502.1911 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

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

CAS Number
169332-60-9
Molecular Formula
C20H30N4O11
Molecular Weight
502.1911 g/mol
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Technical Specifications

Molecular FormulaC20H30N4O11
Molecular Weight502.1911 g/mol
XLogP-2.6
Topological Polar Surface Area (TPSA)245.0 Ų
Hydrogen Bond Donors7
Hydrogen Bond Acceptors11
Rotatable Bonds16
Exact Mass502.1911 Da
Heavy Atoms35
Complexity843.0
SMILESCC(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
InChIKeyUMBVAPCONCILTL-UHFFFAOYSA-N

Product Description

Applications: ICE INHIBITOR is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies ICE INHIBITOR (CAS 169332-60-9) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.

ICE INHIBITOR is a fine chemical identified by CAS number 169332-60-9 and the molecular formula C20H30N4O11 and a molecular weight of 502.19 g/mol. It is also known as Ac-DEVD-CHO and ICE INHIBITOR.

Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.

Chemical Property Profile of ICE INHIBITOR

XLogP
-2.6
TPSA (Topological Polar Surface Area)
245.0
Hydrogen Bond Donors
7
Hydrogen Bond Acceptors
11
Rotatable Bonds
16
Heavy Atoms
35
Complexity
843.0
Exact Mass
502.1911
Monoisotopic Mass
502.1911
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of ICE INHIBITOR

The XLogP value of -2.6 indicates that ICE INHIBITOR 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 INHIBITOR may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ICE INHIBITOR has 7 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 ICE INHIBITOR?

The CAS number of ICE INHIBITOR is 169332-60-9.

What is the molecular formula of ICE INHIBITOR?

The molecular formula of ICE INHIBITOR is C20H30N4O11.

What is the molecular weight of ICE INHIBITOR?

The molecular weight of ICE INHIBITOR is 502.1911 g/mol.

What are the applications of ICE INHIBITOR?

ICE INHIBITOR is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies ICE INHIBITOR (CAS 169332-60-9) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and...

Where can I buy ICE INHIBITOR?

You can request a quote for ICE INHIBITOR directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for ICE INHIBITOR?

Yes, CoreyChem provides custom synthesis services for ICE INHIBITOR and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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