2-Methyl-2-pentyl-1,1-cyclopropanedicarbonitrile
TL;DR: 2-Methyl-2-pentyl-1,1-cyclopropanedicarbonitrile (CAS 16738-90-2) is a chemical compound with molecular formula C11H16N2 and molecular weight 176.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-2-pentylcyclopropane-1,1-dicarbonitrile
Also Known As: 2-Methyl-2-pentyl-1,1-cyclopropanedicarbonitrile, 2-methyl-2-pentylcyclopropane-1,1-dicarbonitrile, 1,1-Cyclopropanedicarbonitrile, 2-methyl-2-pentyl-, 2-Methyl-2-pentyl-1,1-cyclopropanedicarbonitrile #, RefChem:263143
| Molecular Formula | C11H16N2 |
|---|---|
| Molecular Weight | 176.13 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 176.13135 |
| Heavy Atoms | 13 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 16738-90-2 |
|---|---|
| SMILES | CCCCCC1(CC1(C#N)C#N)C |
| InChIKey | PFEVXHRLKFTYKG-UHFFFAOYSA-N |
Product Overview
2-Methyl-2-pentyl-1,1-cyclopropanedicarbonitrile (CAS 16738-90-2), with molecular formula C11H16N2 and molecular weight 176.13 g/mol. IUPAC: 2-methyl-2-pentylcyclopropane-1,1-dicarbonitrile.
Chemical Property Profile of 2-Methyl-2-pentyl-1,1-cyclopropanedicarbonitrile
Property Insights of 2-Methyl-2-pentyl-1,1-cyclopropanedicarbonitrile
The XLogP value of 3.2 indicates that 2-Methyl-2-pentyl-1,1-cyclopropanedicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.6 Ų, 2-Methyl-2-pentyl-1,1-cyclopropanedicarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-2-pentyl-1,1-cyclopropanedicarbonitrile 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-Methyl-2-pentyl-1,1-cyclopropanedicarbonitrile?
The CAS number of 2-Methyl-2-pentyl-1,1-cyclopropanedicarbonitrile is 16738-90-2.
What is the molecular formula of 2-Methyl-2-pentyl-1,1-cyclopropanedicarbonitrile?
The molecular formula of 2-Methyl-2-pentyl-1,1-cyclopropanedicarbonitrile is C11H16N2.
What is the molecular weight of 2-Methyl-2-pentyl-1,1-cyclopropanedicarbonitrile?
The molecular weight of 2-Methyl-2-pentyl-1,1-cyclopropanedicarbonitrile is 176.13 g/mol.
Where can I buy 2-Methyl-2-pentyl-1,1-cyclopropanedicarbonitrile?
You can request a quote for 2-Methyl-2-pentyl-1,1-cyclopropanedicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-2-pentyl-1,1-cyclopropanedicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-2-pentyl-1,1-cyclopropanedicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.