2,2-Dimethyl-4-oxobutanenitrile
TL;DR: 2,2-Dimethyl-4-oxobutanenitrile (CAS 18240-73-8) is a chemical compound with molecular formula C6H9NO and molecular weight 111.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-4-oxobutanenitrile
Also Known As: 2,2-dimethyl-4-oxobutanenitrile, 2,2-Dimethyl-succinaldehydonitrile, TETRAMETHYLURICACID, 3-Cyano-3-methylbutanal, Butanenitrile, 2,2-dimethyl-4-oxo-
| Molecular Formula | C6H9NO |
|---|---|
| Molecular Weight | 111.07 g/mol |
| LogP | 1.12518 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 111.06841 |
| Heavy Atoms | 8 |
| Complexity | 120.98045 |
Chemical Identifiers
| CAS Number | 18240-73-8 |
|---|---|
| SMILES | CC(C)(CC=O)C#N |
Product Overview
2,2-Dimethyl-4-oxobutanenitrile (CAS 18240-73-8), with molecular formula C6H9NO and molecular weight 111.07 g/mol. IUPAC: 2,2-dimethyl-4-oxobutanenitrile.
Chemical Property Profile of 2,2-Dimethyl-4-oxobutanenitrile
Property Insights of 2,2-Dimethyl-4-oxobutanenitrile
The XLogP value of 1.12518 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dimethyl-4-oxobutanenitrile. With a topological polar surface area (TPSA) of 40.86 Ų, 2,2-Dimethyl-4-oxobutanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethyl-4-oxobutanenitrile has 0 hydrogen bond donor(s) and 2 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 2,2-Dimethyl-4-oxobutanenitrile?
The CAS number of 2,2-Dimethyl-4-oxobutanenitrile is 18240-73-8.
What is the molecular formula of 2,2-Dimethyl-4-oxobutanenitrile?
The molecular formula of 2,2-Dimethyl-4-oxobutanenitrile is C6H9NO.
What is the molecular weight of 2,2-Dimethyl-4-oxobutanenitrile?
The molecular weight of 2,2-Dimethyl-4-oxobutanenitrile is 111.07 g/mol.
Where can I buy 2,2-Dimethyl-4-oxobutanenitrile?
You can request a quote for 2,2-Dimethyl-4-oxobutanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dimethyl-4-oxobutanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethyl-4-oxobutanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.