1-(tert-Butylazo)-1-cyclohexanecarbonitrile
TL;DR: 1-(tert-Butylazo)-1-cyclohexanecarbonitrile (CAS 25149-47-7) is a chemical compound with molecular formula C11H19N3 and molecular weight 193.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(tert-butyldiazenyl)cyclohexane-1-carbonitrile
Also Known As: 1-(tert-Butylazo)cyclohexanecarbonitrile, LUAZO 96, TBA 96, 1-(tert-Butylazo)-1-cyclohexanecarbonitrile, KST-1B2331
| Molecular Formula | C11H19N3 |
|---|---|
| Molecular Weight | 193.16 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 48.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 193.1579 |
| Heavy Atoms | 14 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 25149-47-7 |
|---|---|
| SMILES | CC(C)(C)N=NC1(CCCCC1)C#N |
| InChIKey | QKNQPCLQRXMWJO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(tert-Butylazo)-1-cyclohexanecarbonitrile (CAS 25149-47-7), with molecular formula C11H19N3 and molecular weight 193.16 g/mol. IUPAC: 1-(tert-butyldiazenyl)cyclohexane-1-carbonitrile.
Chemical Property Profile of 1-(tert-Butylazo)-1-cyclohexanecarbonitrile
Property Insights of 1-(tert-Butylazo)-1-cyclohexanecarbonitrile
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(tert-Butylazo)-1-cyclohexanecarbonitrile. With a topological polar surface area (TPSA) of 48.5 Ų, 1-(tert-Butylazo)-1-cyclohexanecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(tert-Butylazo)-1-cyclohexanecarbonitrile 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 1-(tert-Butylazo)-1-cyclohexanecarbonitrile?
The CAS number of 1-(tert-Butylazo)-1-cyclohexanecarbonitrile is 25149-47-7.
What is the molecular formula of 1-(tert-Butylazo)-1-cyclohexanecarbonitrile?
The molecular formula of 1-(tert-Butylazo)-1-cyclohexanecarbonitrile is C11H19N3.
What is the molecular weight of 1-(tert-Butylazo)-1-cyclohexanecarbonitrile?
The molecular weight of 1-(tert-Butylazo)-1-cyclohexanecarbonitrile is 193.16 g/mol.
Where can I buy 1-(tert-Butylazo)-1-cyclohexanecarbonitrile?
You can request a quote for 1-(tert-Butylazo)-1-cyclohexanecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(tert-Butylazo)-1-cyclohexanecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-(tert-Butylazo)-1-cyclohexanecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.