4-(1,3-benzodioxol-5-ylmethyl)-N-(2-phenylethyl)piperazine-1-carbothioamide
TL;DR: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-phenylethyl)piperazine-1-carbothioamide (CAS 433254-18-3) is a chemical compound with molecular formula C21H25N3O2S and molecular weight 383.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzodioxol-5-ylmethyl)-N-(2-phenylethyl)piperazine-1-carbothioamide
Also Known As: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-phenylethyl)piperazine-1-carbothioamide, 4-(1,3-benzodioxol-5-ylmethyl)-N-phenethylpiperazine-1-carbothioamide, 4-(benzo[1,3]dioxol-5-ylmethyl)-N-phenethyl-piperazine-1-carbothioamide, 4-(benzo[d][1,3]dioxol-5-ylmethyl)-N-phenethylpiperazine-1-carbothioamide, 4-(1,3-BENZODIOXOL-5-YLMETHYL)-N-PHENETHYLTETRAHYDRO-1(2H)-PYRAZINECARBOTHIOAMIDE
| Molecular Formula | C21H25N3O2S |
|---|---|
| Molecular Weight | 383.17 g/mol |
| LogP | 2.6501 |
| Topological Polar Surface Area | 36.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 383.16675 |
| Heavy Atoms | 27 |
| Complexity | 776.2511 |
Chemical Identifiers
| CAS Number | 433254-18-3 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=S)NCCC4=CC=CC=C4 |
Product Overview
4-(1,3-benzodioxol-5-ylmethyl)-N-(2-phenylethyl)piperazine-1-carbothioamide (CAS 433254-18-3), with molecular formula C21H25N3O2S and molecular weight 383.17 g/mol. IUPAC: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-phenylethyl)piperazine-1-carbothioamide.
Chemical Property Profile of 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-phenylethyl)piperazine-1-carbothioamide
Property Insights of 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-phenylethyl)piperazine-1-carbothioamide
The XLogP value of 2.6501 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-phenylethyl)piperazine-1-carbothioamide. With a topological polar surface area (TPSA) of 36.97 Ų, 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-phenylethyl)piperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-phenylethyl)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-(1,3-benzodioxol-5-ylmethyl)-N-(2-phenylethyl)piperazine-1-carbothioamide?
The CAS number of 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-phenylethyl)piperazine-1-carbothioamide is 433254-18-3.
What is the molecular formula of 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-phenylethyl)piperazine-1-carbothioamide?
The molecular formula of 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-phenylethyl)piperazine-1-carbothioamide is C21H25N3O2S.
What is the molecular weight of 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-phenylethyl)piperazine-1-carbothioamide?
The molecular weight of 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-phenylethyl)piperazine-1-carbothioamide is 383.17 g/mol.
Where can I buy 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-phenylethyl)piperazine-1-carbothioamide?
You can request a quote for 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-phenylethyl)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-(1,3-benzodioxol-5-ylmethyl)-N-(2-phenylethyl)piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-phenylethyl)piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.