2-(Cyclohepten-1-yl)butanenitrile
TL;DR: 2-(Cyclohepten-1-yl)butanenitrile (CAS 1052-92-2) is a chemical compound with molecular formula C11H17N and molecular weight 163.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(cyclohepten-1-yl)butanenitrile
Also Known As: starbld0025384, 2-(cyclohept-1-en-1-yl)butanenitrile, 2-(cyclohepten-1-yl)butanenitrile, 2-(1-cyclohepten-1-yl)butanenitrile, 1-Cycloheptene-1-acetonitrile,a-ethyl-
| Molecular Formula | C11H17N |
|---|---|
| Molecular Weight | 163.14 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 163.1361 |
| Heavy Atoms | 12 |
| Complexity | 206.0 |
Chemical Identifiers
| CAS Number | 1052-92-2 |
|---|---|
| SMILES | CCC(C#N)C1=CCCCCC1 |
| InChIKey | NAVKBVKCJAKWBK-UHFFFAOYSA-N |
Product Overview
2-(Cyclohepten-1-yl)butanenitrile (CAS 1052-92-2), with molecular formula C11H17N and molecular weight 163.14 g/mol. IUPAC: 2-(cyclohepten-1-yl)butanenitrile.
Chemical Property Profile of 2-(Cyclohepten-1-yl)butanenitrile
Property Insights of 2-(Cyclohepten-1-yl)butanenitrile
The XLogP value of 3.1 indicates that 2-(Cyclohepten-1-yl)butanenitrile 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-(Cyclohepten-1-yl)butanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Cyclohepten-1-yl)butanenitrile 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-(Cyclohepten-1-yl)butanenitrile?
The CAS number of 2-(Cyclohepten-1-yl)butanenitrile is 1052-92-2.
What is the molecular formula of 2-(Cyclohepten-1-yl)butanenitrile?
The molecular formula of 2-(Cyclohepten-1-yl)butanenitrile is C11H17N.
What is the molecular weight of 2-(Cyclohepten-1-yl)butanenitrile?
The molecular weight of 2-(Cyclohepten-1-yl)butanenitrile is 163.14 g/mol.
Where can I buy 2-(Cyclohepten-1-yl)butanenitrile?
You can request a quote for 2-(Cyclohepten-1-yl)butanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Cyclohepten-1-yl)butanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Cyclohepten-1-yl)butanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.