2-Hydroxy-2,4-dimethylpentanenitrile
TL;DR: 2-Hydroxy-2,4-dimethylpentanenitrile (CAS 4131-68-4) is a chemical compound with molecular formula C7H13NO and molecular weight 127.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-2,4-dimethylpentanenitrile
Also Known As: 2-hydroxy-2,4-dimethylpentanenitrile, 2-Hydroxy-2,4-dimethylvaleronitrile, Pentanenitrile,2-hydroxy-2,4-dimethyl-, 2-hydroxy-2,4-dimethylpentanonitrile, EINECS 223-947-3
| Molecular Formula | C7H13NO |
|---|---|
| Molecular Weight | 127.10 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 44.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 127.09972 |
| Heavy Atoms | 9 |
| Complexity | 133.0 |
Chemical Identifiers
| CAS Number | 4131-68-4 |
|---|---|
| SMILES | CC(C)CC(C)(C#N)O |
| InChIKey | DWZKXPAWEWMLEJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Hydroxy-2,4-dimethylpentanenitrile (CAS 4131-68-4), with molecular formula C7H13NO and molecular weight 127.10 g/mol. IUPAC: 2-hydroxy-2,4-dimethylpentanenitrile.
Chemical Property Profile of 2-Hydroxy-2,4-dimethylpentanenitrile
Property Insights of 2-Hydroxy-2,4-dimethylpentanenitrile
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxy-2,4-dimethylpentanenitrile. With a topological polar surface area (TPSA) of 44.0 Ų, 2-Hydroxy-2,4-dimethylpentanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Hydroxy-2,4-dimethylpentanenitrile 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-2,4-dimethylpentanenitrile?
The CAS number of 2-Hydroxy-2,4-dimethylpentanenitrile is 4131-68-4.
What is the molecular formula of 2-Hydroxy-2,4-dimethylpentanenitrile?
The molecular formula of 2-Hydroxy-2,4-dimethylpentanenitrile is C7H13NO.
What is the molecular weight of 2-Hydroxy-2,4-dimethylpentanenitrile?
The molecular weight of 2-Hydroxy-2,4-dimethylpentanenitrile is 127.10 g/mol.
Where can I buy 2-Hydroxy-2,4-dimethylpentanenitrile?
You can request a quote for 2-Hydroxy-2,4-dimethylpentanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hydroxy-2,4-dimethylpentanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxy-2,4-dimethylpentanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.