Calpain Inhibitor III
TL;DR: Calpain Inhibitor III (CAS 88191-84-8) is a chemical compound with molecular formula C22H26N2O4 and molecular weight 382.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-[(2S)-3-methyl-1-oxo-1-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]butan-2-yl]carbamate
Also Known As: Calpain Inhibitor III, N-Cbz-val-phe-al, Cbz-valpheh, Cbz-val-phe-H, CbzValPheH
| Molecular Formula | C22H26N2O4 |
|---|---|
| Molecular Weight | 382.19 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 382.18927 |
| Heavy Atoms | 28 |
| Complexity | 497.0 |
Chemical Identifiers
| CAS Number | 88191-84-8 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C=O)NC(=O)OCC2=CC=CC=C2 |
| InChIKey | NGBKFLTYGSREKK-PMACEKPBSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Calpain Inhibitor III (CAS 88191-84-8), with molecular formula C22H26N2O4 and molecular weight 382.19 g/mol. IUPAC: benzyl N-[(2S)-3-methyl-1-oxo-1-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]butan-2-yl]carbamate.
Chemical Property Profile of Calpain Inhibitor III
Property Insights of Calpain Inhibitor III
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Calpain Inhibitor III. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Calpain Inhibitor III. Following Lipinski's Rule of Five, Calpain Inhibitor III has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Calpain Inhibitor III?
The CAS number of Calpain Inhibitor III is 88191-84-8.
What is the molecular formula of Calpain Inhibitor III?
The molecular formula of Calpain Inhibitor III is C22H26N2O4.
What is the molecular weight of Calpain Inhibitor III?
The molecular weight of Calpain Inhibitor III is 382.19 g/mol.
Where can I buy Calpain Inhibitor III?
You can request a quote for Calpain Inhibitor III directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calpain Inhibitor III?
Yes, KEHONG BIO provides custom synthesis services for Calpain Inhibitor III and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.