4-Hydroxy-4-methylpentanenitrile
TL;DR: 4-Hydroxy-4-methylpentanenitrile (CAS 78644-90-3) 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.
4-hydroxy-4-methylpentanenitrile
Also Known As: 4-hydroxy-4-methylpentanenitrile, NCIOpen2_001456, 4-Methyl-4-hydroxypentanenitrile, 4-hydroxy-4-methyl-valeronitrile, Pentanenitrile,4-hydroxy-4-methyl-
| Molecular Formula | C6H11NO |
|---|---|
| Molecular Weight | 113.08 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 44.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 113.08406 |
| Heavy Atoms | 8 |
| Complexity | 109.0 |
Chemical Identifiers
| CAS Number | 78644-90-3 |
|---|---|
| SMILES | CC(C)(CCC#N)O |
| InChIKey | ZPQLMXLHRVGXJG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Hydroxy-4-methylpentanenitrile (CAS 78644-90-3), with molecular formula C6H11NO and molecular weight 113.08 g/mol. IUPAC: 4-hydroxy-4-methylpentanenitrile.
Chemical Property Profile of 4-Hydroxy-4-methylpentanenitrile
Property Insights of 4-Hydroxy-4-methylpentanenitrile
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxy-4-methylpentanenitrile. With a topological polar surface area (TPSA) of 44.0 Ų, 4-Hydroxy-4-methylpentanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hydroxy-4-methylpentanenitrile 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 4-Hydroxy-4-methylpentanenitrile?
The CAS number of 4-Hydroxy-4-methylpentanenitrile is 78644-90-3.
What is the molecular formula of 4-Hydroxy-4-methylpentanenitrile?
The molecular formula of 4-Hydroxy-4-methylpentanenitrile is C6H11NO.
What is the molecular weight of 4-Hydroxy-4-methylpentanenitrile?
The molecular weight of 4-Hydroxy-4-methylpentanenitrile is 113.08 g/mol.
Where can I buy 4-Hydroxy-4-methylpentanenitrile?
You can request a quote for 4-Hydroxy-4-methylpentanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxy-4-methylpentanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxy-4-methylpentanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.