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Calpain inhibitor II structure
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Calpain inhibitor II

TL;DR: Calpain inhibitor II (CAS 110115-07-6) is a chemical compound with molecular formula C19H35N3O4S and molecular weight 401.23483 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

2-acetamido-4-methyl-N-[4-methyl-1-[(4-methylsulfanyl-1-oxobutan-2-yl)amino]-1-oxopentan-2-yl]pentanamide

Also Known As: Calpain inhibitor II, ALLM, N-Allm, Calpain inhibitor I, N-Ac-Leu-Leu-Methioninal

CAS Number
110115-07-6
Molecular Formula
C19H35N3O4S
Molecular Weight
401.23483 g/mol
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Application Areas

Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.

Agrochemicals (1 patents) Biotechnology (21 patents) Heterocyclic Building Blocks (8 patents) Organic Building Blocks (4 patents) Peptides & Amino Acids (1 patents)

Technical Specifications

Molecular FormulaC19H35N3O4S
Molecular Weight401.23483 g/mol
XLogP2.2
Topological Polar Surface Area (TPSA)130.0 Ų
Hydrogen Bond Donors3
Hydrogen Bond Acceptors5
Rotatable Bonds13
Exact Mass401.23483 Da
Heavy Atoms27
Complexity497.0
SMILESCC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CCSC)C=O)NC(=O)C
InChIKeyRJWLAIMXRBDUMH-UHFFFAOYSA-N

Chemical Property Profile of Calpain inhibitor II

XLogP
2.2
TPSA (Topological Polar Surface Area)
130.0
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
5
Rotatable Bonds
13
Heavy Atoms
27
Complexity
497.0
Exact Mass
401.23483
Monoisotopic Mass
401.23483
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 Calpain inhibitor II

The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Calpain inhibitor II. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Calpain inhibitor II. Following Lipinski's Rule of Five, Calpain inhibitor II has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of Calpain inhibitor II?

The CAS number of Calpain inhibitor II is 110115-07-6.

What is the molecular formula of Calpain inhibitor II?

The molecular formula of Calpain inhibitor II is C19H35N3O4S.

What is the molecular weight of Calpain inhibitor II?

The molecular weight of Calpain inhibitor II is 401.23483 g/mol.

Where can I buy Calpain inhibitor II?

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

Does CoreyChem offer custom synthesis for Calpain inhibitor II?

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

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