Butyronitrile, 2,3,3-trimethyl-2-(4-bromophenyldiazenyl)-
TL;DR: Butyronitrile, 2,3,3-trimethyl-2-(4-bromophenyldiazenyl)- (CAS 40620-33-5) is a chemical compound with molecular formula C13H16BrN3 and molecular weight 293.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-bromophenyl)diazenyl]-2,3,3-trimethylbutanenitrile
Also Known As: Butyronitrile, 2,3,3-trimethyl-2-(4-bromophenyldiazenyl)-, N-(4-Bromophenyl)-N'-(1,2,2-trimethyl-1-cyano-propyl)diazene, 2-[(4-bromophenyl)diazenyl]-2,3,3-trimethylbutanenitrile, 2-[(Z)-(4-Bromophenyl)diazenyl]-2,3,3-trimethylbutanenitrile #
| Molecular Formula | C13H16BrN3 |
|---|---|
| Molecular Weight | 293.05 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 48.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 293.05276 |
| Heavy Atoms | 17 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 40620-33-5 |
|---|---|
| SMILES | CC(C)(C)C(C)(C#N)N=NC1=CC=C(C=C1)Br |
| InChIKey | BOUQEKBWOQIMIL-UHFFFAOYSA-N |
Product Overview
Butyronitrile, 2,3,3-trimethyl-2-(4-bromophenyldiazenyl)- (CAS 40620-33-5), with molecular formula C13H16BrN3 and molecular weight 293.05 g/mol. IUPAC: 2-[(4-bromophenyl)diazenyl]-2,3,3-trimethylbutanenitrile.
Chemical Property Profile of Butyronitrile, 2,3,3-trimethyl-2-(4-bromophenyldiazenyl)-
Property Insights of Butyronitrile, 2,3,3-trimethyl-2-(4-bromophenyldiazenyl)-
The XLogP value of 4.6 indicates that Butyronitrile, 2,3,3-trimethyl-2-(4-bromophenyldiazenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.5 Ų, Butyronitrile, 2,3,3-trimethyl-2-(4-bromophenyldiazenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyronitrile, 2,3,3-trimethyl-2-(4-bromophenyldiazenyl)- has 0 hydrogen bond donor(s) and 3 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-bromophenyldiazenyl)-?
The CAS number of Butyronitrile, 2,3,3-trimethyl-2-(4-bromophenyldiazenyl)- is 40620-33-5.
What is the molecular formula of Butyronitrile, 2,3,3-trimethyl-2-(4-bromophenyldiazenyl)-?
The molecular formula of Butyronitrile, 2,3,3-trimethyl-2-(4-bromophenyldiazenyl)- is C13H16BrN3.
What is the molecular weight of Butyronitrile, 2,3,3-trimethyl-2-(4-bromophenyldiazenyl)-?
The molecular weight of Butyronitrile, 2,3,3-trimethyl-2-(4-bromophenyldiazenyl)- is 293.05 g/mol.
Where can I buy Butyronitrile, 2,3,3-trimethyl-2-(4-bromophenyldiazenyl)-?
You can request a quote for Butyronitrile, 2,3,3-trimethyl-2-(4-bromophenyldiazenyl)- 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-bromophenyldiazenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Butyronitrile, 2,3,3-trimethyl-2-(4-bromophenyldiazenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.