2-Hydroxy-3,3-dimethylbutanenitrile
TL;DR: 2-Hydroxy-3,3-dimethylbutanenitrile (CAS 127760-84-3) is a chemical compound with molecular formula C6H11NO and molecular weight 113.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-3,3-dimethylbutanenitrile
Also Known As: 2-hydroxy-3,3-dimethylbutanenitrile, Butanenitrile, 2-hydroxy-3,3-dimethyl-, 2-Hydroxy-3,3-dimethylbutyronitrile, 2-hydroxy-3,3-dimethyl-butanenitrile, 3,3-Dimethyl-2-hydroxybutyronitrile
| Molecular Formula | C6H11NO |
|---|---|
| Molecular Weight | 113.08 g/mol |
| LogP | 0.91698 |
| Topological Polar Surface Area | 44.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 113.08406 |
| Heavy Atoms | 8 |
| Complexity | 106.67739 |
Chemical Identifiers
| CAS Number | 127760-84-3 |
|---|---|
| SMILES | CC(C)(C)C(C#N)O |
Product Overview
2-Hydroxy-3,3-dimethylbutanenitrile (CAS 127760-84-3), with molecular formula C6H11NO and molecular weight 113.08 g/mol. IUPAC: 2-hydroxy-3,3-dimethylbutanenitrile.
Chemical Property Profile of 2-Hydroxy-3,3-dimethylbutanenitrile
Property Insights of 2-Hydroxy-3,3-dimethylbutanenitrile
The XLogP value of 0.91698 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxy-3,3-dimethylbutanenitrile. With a topological polar surface area (TPSA) of 44.02 Ų, 2-Hydroxy-3,3-dimethylbutanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Hydroxy-3,3-dimethylbutanenitrile has 1 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-Hydroxy-3,3-dimethylbutanenitrile?
The CAS number of 2-Hydroxy-3,3-dimethylbutanenitrile is 127760-84-3.
What is the molecular formula of 2-Hydroxy-3,3-dimethylbutanenitrile?
The molecular formula of 2-Hydroxy-3,3-dimethylbutanenitrile is C6H11NO.
What is the molecular weight of 2-Hydroxy-3,3-dimethylbutanenitrile?
The molecular weight of 2-Hydroxy-3,3-dimethylbutanenitrile is 113.08 g/mol.
Where can I buy 2-Hydroxy-3,3-dimethylbutanenitrile?
You can request a quote for 2-Hydroxy-3,3-dimethylbutanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hydroxy-3,3-dimethylbutanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxy-3,3-dimethylbutanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.