![6-Tert-butyl-2-[(3-methoxyphenyl)carbonyl]spiro[2.5]octane-1,1-dicarbonitrile structure](/static/products/308/308107-01-9.png)
6-Tert-butyl-2-[(3-methoxyphenyl)carbonyl]spiro[2.5]octane-1,1-dicarbonitrile
TL;DR: 6-Tert-butyl-2-[(3-methoxyphenyl)carbonyl]spiro[2.5]octane-1,1-dicarbonitrile (CAS 308107-01-9) is a chemical compound with molecular formula C22H26N2O2 and molecular weight 350.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-tert-butyl-1-(3-methoxybenzoyl)spiro[2.5]octane-2,2-dicarbonitrile
Also Known As: 6-tert-butyl-2-[(3-methoxyphenyl)carbonyl]spiro[2.5]octane-1,1-dicarbonitrile, 6-(tert-butyl)-2-(3-methoxybenzoyl)spiro[2.5]octane-1,1-dicarbonitrile, 6-tert-butyl-1-(3-methoxybenzoyl)spiro[2.5]octane-2,2-dicarbonitrile
| Molecular Formula | C22H26N2O2 |
|---|---|
| Molecular Weight | 350.20 g/mol |
| LogP | 4.76396 |
| Topological Polar Surface Area | 73.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 350.19943 |
| Heavy Atoms | 26 |
| Complexity | 784.65674 |
Chemical Identifiers
| CAS Number | 308107-01-9 |
|---|---|
| SMILES | CC(C)(C)C1CCC2(CC1)C(C2(C#N)C#N)C(=O)C3=CC(=CC=C3)OC |
Product Overview
6-Tert-butyl-2-[(3-methoxyphenyl)carbonyl]spiro[2.5]octane-1,1-dicarbonitrile (CAS 308107-01-9), with molecular formula C22H26N2O2 and molecular weight 350.20 g/mol. IUPAC: 6-tert-butyl-1-(3-methoxybenzoyl)spiro[2.5]octane-2,2-dicarbonitrile.
Chemical Property Profile of 6-Tert-butyl-2-[(3-methoxyphenyl)carbonyl]spiro[2.5]octane-1,1-dicarbonitrile
Property Insights of 6-Tert-butyl-2-[(3-methoxyphenyl)carbonyl]spiro[2.5]octane-1,1-dicarbonitrile
The XLogP value of 4.76396 indicates that 6-Tert-butyl-2-[(3-methoxyphenyl)carbonyl]spiro[2.5]octane-1,1-dicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Tert-butyl-2-[(3-methoxyphenyl)carbonyl]spiro[2.5]octane-1,1-dicarbonitrile. Following Lipinski's Rule of Five, 6-Tert-butyl-2-[(3-methoxyphenyl)carbonyl]spiro[2.5]octane-1,1-dicarbonitrile has 0 hydrogen bond donor(s) and 4 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-[(3-methoxyphenyl)carbonyl]spiro[2.5]octane-1,1-dicarbonitrile?
The CAS number of 6-Tert-butyl-2-[(3-methoxyphenyl)carbonyl]spiro[2.5]octane-1,1-dicarbonitrile is 308107-01-9.
What is the molecular formula of 6-Tert-butyl-2-[(3-methoxyphenyl)carbonyl]spiro[2.5]octane-1,1-dicarbonitrile?
The molecular formula of 6-Tert-butyl-2-[(3-methoxyphenyl)carbonyl]spiro[2.5]octane-1,1-dicarbonitrile is C22H26N2O2.
What is the molecular weight of 6-Tert-butyl-2-[(3-methoxyphenyl)carbonyl]spiro[2.5]octane-1,1-dicarbonitrile?
The molecular weight of 6-Tert-butyl-2-[(3-methoxyphenyl)carbonyl]spiro[2.5]octane-1,1-dicarbonitrile is 350.20 g/mol.
Where can I buy 6-Tert-butyl-2-[(3-methoxyphenyl)carbonyl]spiro[2.5]octane-1,1-dicarbonitrile?
You can request a quote for 6-Tert-butyl-2-[(3-methoxyphenyl)carbonyl]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-[(3-methoxyphenyl)carbonyl]spiro[2.5]octane-1,1-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-Tert-butyl-2-[(3-methoxyphenyl)carbonyl]spiro[2.5]octane-1,1-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.