β-甲基-α,α-二苯基哌啶-1-丁腈
TL;DR: β-甲基-α,α-二苯基哌啶-1-丁腈 (CAS 17371-45-8) is a chemical compound with molecular formula C22H26N2 and molecular weight 318.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
β-甲基-α,α-二苯基哌啶-1-丁腈
3-methyl-2,2-diphenyl-4-piperidin-1-ylbutanenitrile
Also Known As: beta-Methyl-alpha,alpha-diphenylpiperidine-1-butyronitrile, 3-methyl-2,2-diphenyl-4-(piperidin-1-yl)butanenitrile, 3-methyl-2,2-diphenyl-4-piperidin-1-ylbutanenitrile, 3-Methyl-2,2-diphenyl-4-piperidinobutyronitrile, 3-methyl-2,2-diphenyl-4-piperidino-butyronitrile
| Molecular Formula | C22H26N2 |
|---|---|
| Molecular Weight | 318.21 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 318.2096 |
| Heavy Atoms | 24 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 17371-45-8 |
|---|---|
| SMILES | CC(CN1CCCCC1)C(C#N)(C2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | HGKFSYSKZCQWHP-UHFFFAOYSA-N |
Product Overview
β-甲基-α,α-二苯基哌啶-1-丁腈 (CAS 17371-45-8), with molecular formula C22H26N2 and molecular weight 318.21 g/mol. IUPAC: 3-methyl-2,2-diphenyl-4-piperidin-1-ylbutanenitrile.
Chemical Property Profile of β-甲基-α,α-二苯基哌啶-1-丁腈
Property Insights of β-甲基-α,α-二苯基哌啶-1-丁腈
The XLogP value of 4.8 indicates that β-甲基-α,α-二苯基哌啶-1-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, β-甲基-α,α-二苯基哌啶-1-丁腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, β-甲基-α,α-二苯基哌啶-1-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 β-甲基-α,α-二苯基哌啶-1-丁腈?
The CAS number of β-甲基-α,α-二苯基哌啶-1-丁腈 is 17371-45-8.
What is the molecular formula of β-甲基-α,α-二苯基哌啶-1-丁腈?
The molecular formula of β-甲基-α,α-二苯基哌啶-1-丁腈 is C22H26N2.
What is the molecular weight of β-甲基-α,α-二苯基哌啶-1-丁腈?
The molecular weight of β-甲基-α,α-二苯基哌啶-1-丁腈 is 318.21 g/mol.
Where can I buy β-甲基-α,α-二苯基哌啶-1-丁腈?
You can request a quote for β-甲基-α,α-二苯基哌啶-1-丁腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for β-甲基-α,α-二苯基哌啶-1-丁腈?
Yes, KEHONG BIO provides custom synthesis services for β-甲基-α,α-二苯基哌啶-1-丁腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.