RefChem:859940
TL;DR: RefChem:859940 (CAS 55685-40-0) is a chemical compound with molecular formula C15H26N4O and molecular weight 278.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-cyano-4-methylpentan-2-yl)diazenyl]-4-methoxy-2,4-dimethylpentanenitrile
Also Known As: 2-((1-Cyano-1,3-dimethylbutyl)azo)-4-methoxy-2,4-dimethylpentanenitrile, 2-[(1-Cyano-1,3-dimethylbutyl)azo]-4-methoxy-2,4-dimethylpentanenitrile, 2-[(2-cyano-4-methylpentan-2-yl)diazenyl]-4-methoxy-2,4-dimethylpentanenitrile, Pentanenitrile, 2-((1-cyano-1,3-dimethylbutyl)azo)-4-methoxy-2,4-dimethyl-, Pentanenitrile, 2-(2-(1-cyano-1,3-dimethylbutyl)diazenyl)-4-methoxy-2,4-dimethyl-
| Molecular Formula | C15H26N4O |
|---|---|
| Molecular Weight | 278.21 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 81.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 278.21066 |
| Heavy Atoms | 20 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 55685-40-0 |
|---|---|
| SMILES | CC(C)CC(C)(C#N)N=NC(C)(CC(C)(C)OC)C#N |
| InChIKey | WWBIFSRDCXYYKG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:859940 (CAS 55685-40-0), with molecular formula C15H26N4O and molecular weight 278.21 g/mol. IUPAC: 2-[(2-cyano-4-methylpentan-2-yl)diazenyl]-4-methoxy-2,4-dimethylpentanenitrile.
Chemical Property Profile of RefChem:859940
Property Insights of RefChem:859940
The XLogP value of 3.1 indicates that RefChem:859940 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.5 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:859940. Following Lipinski's Rule of Five, RefChem:859940 has 0 hydrogen bond donor(s) and 5 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 RefChem:859940?
The CAS number of RefChem:859940 is 55685-40-0.
What is the molecular formula of RefChem:859940?
The molecular formula of RefChem:859940 is C15H26N4O.
What is the molecular weight of RefChem:859940?
The molecular weight of RefChem:859940 is 278.21 g/mol.
Where can I buy RefChem:859940?
You can request a quote for RefChem:859940 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:859940?
Yes, KEHONG BIO provides custom synthesis services for RefChem:859940 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.