4-benzyl-N-(2,5-dimethylphenyl)piperidine-1-carbothioamide
TL;DR: 4-benzyl-N-(2,5-dimethylphenyl)piperidine-1-carbothioamide (CAS 664969-20-4) is a chemical compound with molecular formula C21H26N2S and molecular weight 338.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-N-(2,5-dimethylphenyl)piperidine-1-carbothioamide
Also Known As: 4-benzyl-N-(2,5-dimethylphenyl)piperidine-1-carbothioamide, AJ-292/41694482, [(2,5-dimethylphenyl)amino][4-benzylpiperidyl]methane-1-thione, 4-BENZYL-N-(2,5-DIMETHYLPHENYL)TETRAHYDRO-1(2H)-PYRIDINECARBOTHIOAMIDE
| Molecular Formula | C21H26N2S |
|---|---|
| Molecular Weight | 338.18 g/mol |
| LogP | 4.95494 |
| Topological Polar Surface Area | 15.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 338.18167 |
| Heavy Atoms | 24 |
| Complexity | 688.23987 |
Chemical Identifiers
| CAS Number | 664969-20-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)NC(=S)N2CCC(CC2)CC3=CC=CC=C3 |
Product Overview
4-benzyl-N-(2,5-dimethylphenyl)piperidine-1-carbothioamide (CAS 664969-20-4), with molecular formula C21H26N2S and molecular weight 338.18 g/mol. IUPAC: 4-benzyl-N-(2,5-dimethylphenyl)piperidine-1-carbothioamide.
Chemical Property Profile of 4-benzyl-N-(2,5-dimethylphenyl)piperidine-1-carbothioamide
Property Insights of 4-benzyl-N-(2,5-dimethylphenyl)piperidine-1-carbothioamide
The XLogP value of 4.95494 indicates that 4-benzyl-N-(2,5-dimethylphenyl)piperidine-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.27 Ų, 4-benzyl-N-(2,5-dimethylphenyl)piperidine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-benzyl-N-(2,5-dimethylphenyl)piperidine-1-carbothioamide has 1 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 4-benzyl-N-(2,5-dimethylphenyl)piperidine-1-carbothioamide?
The CAS number of 4-benzyl-N-(2,5-dimethylphenyl)piperidine-1-carbothioamide is 664969-20-4.
What is the molecular formula of 4-benzyl-N-(2,5-dimethylphenyl)piperidine-1-carbothioamide?
The molecular formula of 4-benzyl-N-(2,5-dimethylphenyl)piperidine-1-carbothioamide is C21H26N2S.
What is the molecular weight of 4-benzyl-N-(2,5-dimethylphenyl)piperidine-1-carbothioamide?
The molecular weight of 4-benzyl-N-(2,5-dimethylphenyl)piperidine-1-carbothioamide is 338.18 g/mol.
Where can I buy 4-benzyl-N-(2,5-dimethylphenyl)piperidine-1-carbothioamide?
You can request a quote for 4-benzyl-N-(2,5-dimethylphenyl)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 4-benzyl-N-(2,5-dimethylphenyl)piperidine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-benzyl-N-(2,5-dimethylphenyl)piperidine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.