ALLN
TL;DR: ALLN (CAS 110044-82-1) is a chemical compound with molecular formula C20H37N3O4 and molecular weight 383.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ALLN
2-acetamido-4-methyl-N-[4-methyl-1-oxo-1-(1-oxohexan-2-ylamino)pentan-2-yl]pentanamide
Also Known As: ALLN, Calpain inhibitor I, Allnal, LLNL, InSolution™ ALLN
| Molecular Formula | C20H37N3O4 |
|---|---|
| Molecular Weight | 383.28 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 383.2784 |
| Heavy Atoms | 27 |
| Complexity | 492.0 |
Chemical Identifiers
| CAS Number | 110044-82-1 |
|---|---|
| SMILES | CCCCC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C |
| InChIKey | FMYKJLXRRQTBOR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ALLN (CAS 110044-82-1), with molecular formula C20H37N3O4 and molecular weight 383.28 g/mol. IUPAC: 2-acetamido-4-methyl-N-[4-methyl-1-oxo-1-(1-oxohexan-2-ylamino)pentan-2-yl]pentanamide.
Chemical Property Profile of ALLN
Property Insights of ALLN
The XLogP value of 3.0 indicates that ALLN is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ALLN. Following Lipinski's Rule of Five, ALLN has 3 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 ALLN?
The CAS number of ALLN is 110044-82-1.
What is the molecular formula of ALLN?
The molecular formula of ALLN is C20H37N3O4.
What is the molecular weight of ALLN?
The molecular weight of ALLN is 383.28 g/mol.
Where can I buy ALLN?
You can request a quote for ALLN directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ALLN?
Yes, KEHONG BIO provides custom synthesis services for ALLN and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.