N-(2,5-dimethylphenyl)-2-(pyridin-3-yl)piperidine-1-carbothioamide
TL;DR: N-(2,5-dimethylphenyl)-2-(pyridin-3-yl)piperidine-1-carbothioamide (CAS 398995-86-3) is a chemical compound with molecular formula C19H23N3S and molecular weight 325.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,5-dimethylphenyl)-2-pyridin-3-ylpiperidine-1-carbothioamide
Also Known As: N-(2,5-dimethylphenyl)-2-(pyridin-3-yl)piperidine-1-carbothioamide, F0836-0053, N-(2,5-dimethylphenyl)-2-pyridin-3-ylpiperidine-1-carbothioamide
| Molecular Formula | C19H23N3S |
|---|---|
| Molecular Weight | 325.16 g/mol |
| LogP | 4.62244 |
| Topological Polar Surface Area | 28.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 325.16125 |
| Heavy Atoms | 23 |
| Complexity | 684.269 |
Chemical Identifiers
| CAS Number | 398995-86-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)NC(=S)N2CCCCC2C3=CN=CC=C3 |
Product Overview
N-(2,5-dimethylphenyl)-2-(pyridin-3-yl)piperidine-1-carbothioamide (CAS 398995-86-3), with molecular formula C19H23N3S and molecular weight 325.16 g/mol. IUPAC: N-(2,5-dimethylphenyl)-2-pyridin-3-ylpiperidine-1-carbothioamide.
Chemical Property Profile of N-(2,5-dimethylphenyl)-2-(pyridin-3-yl)piperidine-1-carbothioamide
Property Insights of N-(2,5-dimethylphenyl)-2-(pyridin-3-yl)piperidine-1-carbothioamide
The XLogP value of 4.62244 indicates that N-(2,5-dimethylphenyl)-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-(2,5-dimethylphenyl)-2-(pyridin-3-yl)piperidine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2,5-dimethylphenyl)-2-(pyridin-3-yl)piperidine-1-carbothioamide has 1 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 N-(2,5-dimethylphenyl)-2-(pyridin-3-yl)piperidine-1-carbothioamide?
The CAS number of N-(2,5-dimethylphenyl)-2-(pyridin-3-yl)piperidine-1-carbothioamide is 398995-86-3.
What is the molecular formula of N-(2,5-dimethylphenyl)-2-(pyridin-3-yl)piperidine-1-carbothioamide?
The molecular formula of N-(2,5-dimethylphenyl)-2-(pyridin-3-yl)piperidine-1-carbothioamide is C19H23N3S.
What is the molecular weight of N-(2,5-dimethylphenyl)-2-(pyridin-3-yl)piperidine-1-carbothioamide?
The molecular weight of N-(2,5-dimethylphenyl)-2-(pyridin-3-yl)piperidine-1-carbothioamide is 325.16 g/mol.
Where can I buy N-(2,5-dimethylphenyl)-2-(pyridin-3-yl)piperidine-1-carbothioamide?
You can request a quote for N-(2,5-dimethylphenyl)-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-(2,5-dimethylphenyl)-2-(pyridin-3-yl)piperidine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2,5-dimethylphenyl)-2-(pyridin-3-yl)piperidine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.