![6-(Tert-butyl)-2-(phenylcarbonyl)spiro[2.5]octane-1,1-dicarbonitrile structure](/static/products/213/213178-84-8.png)
6-(Tert-butyl)-2-(phenylcarbonyl)spiro[2.5]octane-1,1-dicarbonitrile
TL;DR: 6-(Tert-butyl)-2-(phenylcarbonyl)spiro[2.5]octane-1,1-dicarbonitrile (CAS 213178-84-8) is a chemical compound with molecular formula C21H24N2O and molecular weight 320.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzoyl-6-tert-butylspiro[2.5]octane-2,2-dicarbonitrile
Also Known As: 1-benzoyl-6-tert-butylspiro[2.5]octane-2,2-dicarbonitrile, 2-benzoyl-6-tert-butylspiro[2.5]octane-1,1-dicarbonitrile, 2-benzoyl-6-(tert-butyl)spiro[2.5]octane-1,1-dicarbonitrile, 6-(tert-butyl)-2-(phenylcarbonyl)spiro[2.5]octane-1,1-dicarbonitrile
| Molecular Formula | C21H24N2O |
|---|---|
| Molecular Weight | 320.19 g/mol |
| LogP | 4.75536 |
| Topological Polar Surface Area | 64.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 320.18887 |
| Heavy Atoms | 24 |
| Complexity | 707.83276 |
Chemical Identifiers
| CAS Number | 213178-84-8 |
|---|---|
| SMILES | CC(C)(C)C1CCC2(CC1)C(C2(C#N)C#N)C(=O)C3=CC=CC=C3 |
Product Overview
6-(Tert-butyl)-2-(phenylcarbonyl)spiro[2.5]octane-1,1-dicarbonitrile (CAS 213178-84-8), with molecular formula C21H24N2O and molecular weight 320.19 g/mol. IUPAC: 1-benzoyl-6-tert-butylspiro[2.5]octane-2,2-dicarbonitrile.
Chemical Property Profile of 6-(Tert-butyl)-2-(phenylcarbonyl)spiro[2.5]octane-1,1-dicarbonitrile
Property Insights of 6-(Tert-butyl)-2-(phenylcarbonyl)spiro[2.5]octane-1,1-dicarbonitrile
The XLogP value of 4.75536 indicates that 6-(Tert-butyl)-2-(phenylcarbonyl)spiro[2.5]octane-1,1-dicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(Tert-butyl)-2-(phenylcarbonyl)spiro[2.5]octane-1,1-dicarbonitrile. Following Lipinski's Rule of Five, 6-(Tert-butyl)-2-(phenylcarbonyl)spiro[2.5]octane-1,1-dicarbonitrile 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 6-(Tert-butyl)-2-(phenylcarbonyl)spiro[2.5]octane-1,1-dicarbonitrile?
The CAS number of 6-(Tert-butyl)-2-(phenylcarbonyl)spiro[2.5]octane-1,1-dicarbonitrile is 213178-84-8.
What is the molecular formula of 6-(Tert-butyl)-2-(phenylcarbonyl)spiro[2.5]octane-1,1-dicarbonitrile?
The molecular formula of 6-(Tert-butyl)-2-(phenylcarbonyl)spiro[2.5]octane-1,1-dicarbonitrile is C21H24N2O.
What is the molecular weight of 6-(Tert-butyl)-2-(phenylcarbonyl)spiro[2.5]octane-1,1-dicarbonitrile?
The molecular weight of 6-(Tert-butyl)-2-(phenylcarbonyl)spiro[2.5]octane-1,1-dicarbonitrile is 320.19 g/mol.
Where can I buy 6-(Tert-butyl)-2-(phenylcarbonyl)spiro[2.5]octane-1,1-dicarbonitrile?
You can request a quote for 6-(Tert-butyl)-2-(phenylcarbonyl)spiro[2.5]octane-1,1-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(Tert-butyl)-2-(phenylcarbonyl)spiro[2.5]octane-1,1-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-(Tert-butyl)-2-(phenylcarbonyl)spiro[2.5]octane-1,1-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.