4-benzyl-N-(4-chloro-2,5-dimethoxyphenyl)piperidine-1-carbothioamide
TL;DR: 4-benzyl-N-(4-chloro-2,5-dimethoxyphenyl)piperidine-1-carbothioamide (CAS 664968-60-9) is a chemical compound with molecular formula C21H25ClN2O2S and molecular weight 404.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-N-(4-chloro-2,5-dimethoxyphenyl)piperidine-1-carbothioamide
Also Known As: 4-benzyl-N-(4-chloro-2,5-dimethoxyphenyl)piperidine-1-carbothioamide, AJ-292/41694391, [(4-chloro-2,5-dimethoxyphenyl)amino][4-benzylpiperidyl]methane-1-thione, 4-benzyl-N-(4-chloro-2,5-dimethoxyphenyl)-1-piperidinecarbothioamide, 4-BENZYL-N-(4-CHLORO-2,5-DIMETHOXYPHENYL)TETRAHYDRO-1(2H)-PYRIDINECARBOTHIOAMIDE
| Molecular Formula | C21H25ClN2O2S |
|---|---|
| Molecular Weight | 404.13 g/mol |
| LogP | 5.0087 |
| Topological Polar Surface Area | 33.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 404.13254 |
| Heavy Atoms | 27 |
| Complexity | 777.2511 |
Chemical Identifiers
| CAS Number | 664968-60-9 |
|---|---|
| SMILES | COC1=CC(=C(C=C1NC(=S)N2CCC(CC2)CC3=CC=CC=C3)OC)Cl |
Product Overview
4-benzyl-N-(4-chloro-2,5-dimethoxyphenyl)piperidine-1-carbothioamide (CAS 664968-60-9), with molecular formula C21H25ClN2O2S and molecular weight 404.13 g/mol. IUPAC: 4-benzyl-N-(4-chloro-2,5-dimethoxyphenyl)piperidine-1-carbothioamide.
Chemical Property Profile of 4-benzyl-N-(4-chloro-2,5-dimethoxyphenyl)piperidine-1-carbothioamide
Property Insights of 4-benzyl-N-(4-chloro-2,5-dimethoxyphenyl)piperidine-1-carbothioamide
The XLogP value of 5.0087 indicates that 4-benzyl-N-(4-chloro-2,5-dimethoxyphenyl)piperidine-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.73 Ų, 4-benzyl-N-(4-chloro-2,5-dimethoxyphenyl)piperidine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-benzyl-N-(4-chloro-2,5-dimethoxyphenyl)piperidine-1-carbothioamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-benzyl-N-(4-chloro-2,5-dimethoxyphenyl)piperidine-1-carbothioamide?
The CAS number of 4-benzyl-N-(4-chloro-2,5-dimethoxyphenyl)piperidine-1-carbothioamide is 664968-60-9.
What is the molecular formula of 4-benzyl-N-(4-chloro-2,5-dimethoxyphenyl)piperidine-1-carbothioamide?
The molecular formula of 4-benzyl-N-(4-chloro-2,5-dimethoxyphenyl)piperidine-1-carbothioamide is C21H25ClN2O2S.
What is the molecular weight of 4-benzyl-N-(4-chloro-2,5-dimethoxyphenyl)piperidine-1-carbothioamide?
The molecular weight of 4-benzyl-N-(4-chloro-2,5-dimethoxyphenyl)piperidine-1-carbothioamide is 404.13 g/mol.
Where can I buy 4-benzyl-N-(4-chloro-2,5-dimethoxyphenyl)piperidine-1-carbothioamide?
You can request a quote for 4-benzyl-N-(4-chloro-2,5-dimethoxyphenyl)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-(4-chloro-2,5-dimethoxyphenyl)piperidine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-benzyl-N-(4-chloro-2,5-dimethoxyphenyl)piperidine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.