N-(2,6-diethylphenyl)-2-(pyridin-3-yl)piperidine-1-carbothioamide
TL;DR: N-(2,6-diethylphenyl)-2-(pyridin-3-yl)piperidine-1-carbothioamide (CAS 398995-82-9) is a chemical compound with molecular formula C21H27N3S and molecular weight 353.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,6-diethylphenyl)-2-pyridin-3-ylpiperidine-1-carbothioamide
Also Known As: N-(2,6-diethylphenyl)-2-(pyridin-3-yl)piperidine-1-carbothioamide, N-(2,6-diethylphenyl)-2-pyridin-3-ylpiperidine-1-carbothioamide, F0836-0051
| Molecular Formula | C21H27N3S |
|---|---|
| Molecular Weight | 353.19 g/mol |
| LogP | 5.1304 |
| Topological Polar Surface Area | 28.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 353.19257 |
| Heavy Atoms | 25 |
| Complexity | 692.08606 |
Chemical Identifiers
| CAS Number | 398995-82-9 |
|---|---|
| SMILES | CCC1=C(C(=CC=C1)CC)NC(=S)N2CCCCC2C3=CN=CC=C3 |
Product Overview
N-(2,6-diethylphenyl)-2-(pyridin-3-yl)piperidine-1-carbothioamide (CAS 398995-82-9), with molecular formula C21H27N3S and molecular weight 353.19 g/mol. IUPAC: N-(2,6-diethylphenyl)-2-pyridin-3-ylpiperidine-1-carbothioamide.
Chemical Property Profile of N-(2,6-diethylphenyl)-2-(pyridin-3-yl)piperidine-1-carbothioamide
Property Insights of N-(2,6-diethylphenyl)-2-(pyridin-3-yl)piperidine-1-carbothioamide
The XLogP value of 5.1304 indicates that N-(2,6-diethylphenyl)-2-(pyridin-3-yl)piperidine-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.16 Ų, N-(2,6-diethylphenyl)-2-(pyridin-3-yl)piperidine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2,6-diethylphenyl)-2-(pyridin-3-yl)piperidine-1-carbothioamide has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(2,6-diethylphenyl)-2-(pyridin-3-yl)piperidine-1-carbothioamide?
The CAS number of N-(2,6-diethylphenyl)-2-(pyridin-3-yl)piperidine-1-carbothioamide is 398995-82-9.
What is the molecular formula of N-(2,6-diethylphenyl)-2-(pyridin-3-yl)piperidine-1-carbothioamide?
The molecular formula of N-(2,6-diethylphenyl)-2-(pyridin-3-yl)piperidine-1-carbothioamide is C21H27N3S.
What is the molecular weight of N-(2,6-diethylphenyl)-2-(pyridin-3-yl)piperidine-1-carbothioamide?
The molecular weight of N-(2,6-diethylphenyl)-2-(pyridin-3-yl)piperidine-1-carbothioamide is 353.19 g/mol.
Where can I buy N-(2,6-diethylphenyl)-2-(pyridin-3-yl)piperidine-1-carbothioamide?
You can request a quote for N-(2,6-diethylphenyl)-2-(pyridin-3-yl)piperidine-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2,6-diethylphenyl)-2-(pyridin-3-yl)piperidine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2,6-diethylphenyl)-2-(pyridin-3-yl)piperidine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.