2,2-Dipropylvaleronitrile
TL;DR: 2,2-Dipropylvaleronitrile (CAS 5340-48-7) is a chemical compound with molecular formula C11H21N and molecular weight 167.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dipropylpentanenitrile
Also Known As: 2,2-Dipropylvaleronitrile, 2,2-dipropylpentanenitrile, tri-n-propylacetonitrile, TRIPROPYLACETONITRILE, Valproic Acid EP Impurity J
| Molecular Formula | C11H21N |
|---|---|
| Molecular Weight | 167.17 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 167.1674 |
| Heavy Atoms | 12 |
| Complexity | 135.0 |
Chemical Identifiers
| CAS Number | 5340-48-7 |
|---|---|
| SMILES | CCCC(CCC)(CCC)C#N |
| InChIKey | AWAHTDIOUIVENZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-Dipropylvaleronitrile (CAS 5340-48-7), with molecular formula C11H21N and molecular weight 167.17 g/mol. IUPAC: 2,2-dipropylpentanenitrile.
Chemical Property Profile of 2,2-Dipropylvaleronitrile
Property Insights of 2,2-Dipropylvaleronitrile
The XLogP value of 4.1 indicates that 2,2-Dipropylvaleronitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 2,2-Dipropylvaleronitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dipropylvaleronitrile has 0 hydrogen bond donor(s) and 1 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-Dipropylvaleronitrile?
The CAS number of 2,2-Dipropylvaleronitrile is 5340-48-7.
What is the molecular formula of 2,2-Dipropylvaleronitrile?
The molecular formula of 2,2-Dipropylvaleronitrile is C11H21N.
What is the molecular weight of 2,2-Dipropylvaleronitrile?
The molecular weight of 2,2-Dipropylvaleronitrile is 167.17 g/mol.
Where can I buy 2,2-Dipropylvaleronitrile?
You can request a quote for 2,2-Dipropylvaleronitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dipropylvaleronitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dipropylvaleronitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.