Butyronitrile, 2,3,3-trimethyl-2-(4-nitrophenyldiazenyl)-
TL;DR: Butyronitrile, 2,3,3-trimethyl-2-(4-nitrophenyldiazenyl)- (CAS 40620-35-7) is a chemical compound with molecular formula C13H16N4O2 and molecular weight 260.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,3-trimethyl-2-[(4-nitrophenyl)diazenyl]butanenitrile
Also Known As: Butyronitrile, 2,3,3-trimethyl-2-(4-nitrophenyldiazenyl)-, N-(4-Nitrophenyl)-N'-(1,2,2-trimethyl-1-cyano-propyl)diazene, 2,3,3-trimethyl-2-[(4-nitrophenyl)diazenyl]butanenitrile, 2,3,3-Trimethyl-2-[(E)-(4-nitrophenyl)diazenyl]butanenitrile #
| Molecular Formula | C13H16N4O2 |
|---|---|
| Molecular Weight | 260.13 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 94.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.12732 |
| Heavy Atoms | 19 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 40620-35-7 |
|---|---|
| SMILES | CC(C)(C)C(C)(C#N)N=NC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | ADUZTDVESOKFGH-UHFFFAOYSA-N |
Product Overview
Butyronitrile, 2,3,3-trimethyl-2-(4-nitrophenyldiazenyl)- (CAS 40620-35-7), with molecular formula C13H16N4O2 and molecular weight 260.13 g/mol. IUPAC: 2,3,3-trimethyl-2-[(4-nitrophenyl)diazenyl]butanenitrile.
Chemical Property Profile of Butyronitrile, 2,3,3-trimethyl-2-(4-nitrophenyldiazenyl)-
Property Insights of Butyronitrile, 2,3,3-trimethyl-2-(4-nitrophenyldiazenyl)-
The XLogP value of 3.7 indicates that Butyronitrile, 2,3,3-trimethyl-2-(4-nitrophenyldiazenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyronitrile, 2,3,3-trimethyl-2-(4-nitrophenyldiazenyl)-. Following Lipinski's Rule of Five, Butyronitrile, 2,3,3-trimethyl-2-(4-nitrophenyldiazenyl)- 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 Butyronitrile, 2,3,3-trimethyl-2-(4-nitrophenyldiazenyl)-?
The CAS number of Butyronitrile, 2,3,3-trimethyl-2-(4-nitrophenyldiazenyl)- is 40620-35-7.
What is the molecular formula of Butyronitrile, 2,3,3-trimethyl-2-(4-nitrophenyldiazenyl)-?
The molecular formula of Butyronitrile, 2,3,3-trimethyl-2-(4-nitrophenyldiazenyl)- is C13H16N4O2.
What is the molecular weight of Butyronitrile, 2,3,3-trimethyl-2-(4-nitrophenyldiazenyl)-?
The molecular weight of Butyronitrile, 2,3,3-trimethyl-2-(4-nitrophenyldiazenyl)- is 260.13 g/mol.
Where can I buy Butyronitrile, 2,3,3-trimethyl-2-(4-nitrophenyldiazenyl)-?
You can request a quote for Butyronitrile, 2,3,3-trimethyl-2-(4-nitrophenyldiazenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyronitrile, 2,3,3-trimethyl-2-(4-nitrophenyldiazenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Butyronitrile, 2,3,3-trimethyl-2-(4-nitrophenyldiazenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.