2-苯基-2-(2-哌啶基乙基)丁腈
TL;DR: 2-苯基-2-(2-哌啶基乙基)丁腈 (CAS 2809-49-6) is a chemical compound with molecular formula C17H24N2 and molecular weight 256.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-苯基-2-(2-哌啶基乙基)丁腈
2-ethyl-2-phenyl-4-piperidin-1-ylbutanenitrile
Also Known As: 2-Phenyl-2-(2-piperidinoethyl)butyronitrile, BUTYRONITRILE, 2-PHENYL-2-(2-PIPERIDINOETHYL)-, 2-ethyl-2-phenyl-4-piperidin-1-ylbutanenitrile, 4-20-00-01089 (Beilstein Handbook Reference), alpha-Ethyl-alpha-phenyl-1-piperidinebutanenitrile
| Molecular Formula | C17H24N2 |
|---|---|
| Molecular Weight | 256.19 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 256.19394 |
| Heavy Atoms | 19 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 2809-49-6 |
|---|---|
| SMILES | CCC(CCN1CCCCC1)(C#N)C2=CC=CC=C2 |
| InChIKey | FMLRYJANQCJZDM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-苯基-2-(2-哌啶基乙基)丁腈 (CAS 2809-49-6), with molecular formula C17H24N2 and molecular weight 256.19 g/mol. IUPAC: 2-ethyl-2-phenyl-4-piperidin-1-ylbutanenitrile.
Chemical Property Profile of 2-苯基-2-(2-哌啶基乙基)丁腈
Property Insights of 2-苯基-2-(2-哌啶基乙基)丁腈
The XLogP value of 3.6 indicates that 2-苯基-2-(2-哌啶基乙基)丁腈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.0 Ų, 2-苯基-2-(2-哌啶基乙基)丁腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-苯基-2-(2-哌啶基乙基)丁腈 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-苯基-2-(2-哌啶基乙基)丁腈?
The CAS number of 2-苯基-2-(2-哌啶基乙基)丁腈 is 2809-49-6.
What is the molecular formula of 2-苯基-2-(2-哌啶基乙基)丁腈?
The molecular formula of 2-苯基-2-(2-哌啶基乙基)丁腈 is C17H24N2.
What is the molecular weight of 2-苯基-2-(2-哌啶基乙基)丁腈?
The molecular weight of 2-苯基-2-(2-哌啶基乙基)丁腈 is 256.19 g/mol.
Where can I buy 2-苯基-2-(2-哌啶基乙基)丁腈?
You can request a quote for 2-苯基-2-(2-哌啶基乙基)丁腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-苯基-2-(2-哌啶基乙基)丁腈?
Yes, KEHONG BIO provides custom synthesis services for 2-苯基-2-(2-哌啶基乙基)丁腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.