半胱天冬酶-3抑制剂I
TL;DR: 半胱天冬酶-3抑制剂I (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.
半胱天冬酶-3抑制剂I
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
半胱天冬酶-3抑制剂I (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 半胱天冬酶-3抑制剂I
Property Insights of 半胱天冬酶-3抑制剂I
The XLogP value of -2.6 indicates that 半胱天冬酶-3抑制剂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 半胱天冬酶-3抑制剂I 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
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 502.19 g/mol.
Where can I buy ICE INHIBITOR?
You can request a quote for ICE INHIBITOR directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ICE INHIBITOR?
Yes, KEHONG BIO provides custom synthesis services for ICE INHIBITOR and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.