4-benzyl-N-(3,5-dimethoxyphenyl)piperazine-1-carbothioamide
TL;DR: 4-benzyl-N-(3,5-dimethoxyphenyl)piperazine-1-carbothioamide (CAS 664969-35-1) is a chemical compound with molecular formula C20H25N3O2S and molecular weight 371.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-N-(3,5-dimethoxyphenyl)piperazine-1-carbothioamide
Also Known As: 4-benzyl-N-(3,5-dimethoxyphenyl)piperazine-1-carbothioamide, 4-benzyl-N-(3,5-dimethoxyphenyl)-1-piperazinecarbothioamide, AJ-292/41694513, [(3,5-dimethoxyphenyl)amino][4-benzylpiperazinyl]methane-1-thione, 4-BENZYL-N-(3,5-DIMETHOXYPHENYL)TETRAHYDRO-1(2H)-PYRAZINECARBOTHIOAMIDE
| Molecular Formula | C20H25N3O2S |
|---|---|
| Molecular Weight | 371.17 g/mol |
| LogP | 3.2184 |
| Topological Polar Surface Area | 36.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 371.16675 |
| Heavy Atoms | 26 |
| Complexity | 708.84106 |
Chemical Identifiers
| CAS Number | 664969-35-1 |
|---|---|
| SMILES | COC1=CC(=CC(=C1)NC(=S)N2CCN(CC2)CC3=CC=CC=C3)OC |
Product Overview
4-benzyl-N-(3,5-dimethoxyphenyl)piperazine-1-carbothioamide (CAS 664969-35-1), with molecular formula C20H25N3O2S and molecular weight 371.17 g/mol. IUPAC: 4-benzyl-N-(3,5-dimethoxyphenyl)piperazine-1-carbothioamide.
Chemical Property Profile of 4-benzyl-N-(3,5-dimethoxyphenyl)piperazine-1-carbothioamide
Property Insights of 4-benzyl-N-(3,5-dimethoxyphenyl)piperazine-1-carbothioamide
The XLogP value of 3.2184 indicates that 4-benzyl-N-(3,5-dimethoxyphenyl)piperazine-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.97 Ų, 4-benzyl-N-(3,5-dimethoxyphenyl)piperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-benzyl-N-(3,5-dimethoxyphenyl)piperazine-1-carbothioamide has 1 hydrogen bond donor(s) and 4 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-(3,5-dimethoxyphenyl)piperazine-1-carbothioamide?
The CAS number of 4-benzyl-N-(3,5-dimethoxyphenyl)piperazine-1-carbothioamide is 664969-35-1.
What is the molecular formula of 4-benzyl-N-(3,5-dimethoxyphenyl)piperazine-1-carbothioamide?
The molecular formula of 4-benzyl-N-(3,5-dimethoxyphenyl)piperazine-1-carbothioamide is C20H25N3O2S.
What is the molecular weight of 4-benzyl-N-(3,5-dimethoxyphenyl)piperazine-1-carbothioamide?
The molecular weight of 4-benzyl-N-(3,5-dimethoxyphenyl)piperazine-1-carbothioamide is 371.17 g/mol.
Where can I buy 4-benzyl-N-(3,5-dimethoxyphenyl)piperazine-1-carbothioamide?
You can request a quote for 4-benzyl-N-(3,5-dimethoxyphenyl)piperazine-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-(3,5-dimethoxyphenyl)piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-benzyl-N-(3,5-dimethoxyphenyl)piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.