4-benzyl-N-(2-phenylethyl)-1-piperazinecarbothioamide
TL;DR: 4-benzyl-N-(2-phenylethyl)-1-piperazinecarbothioamide (CAS 401908-50-7) is a chemical compound with molecular formula C20H25N3S and molecular weight 339.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-N-(2-phenylethyl)piperazine-1-carbothioamide
Also Known As: BAS 04887226, 4-benzyl-N-phenethylpiperazine-1-carbothioamide, 4-benzyl-N-(2-phenylethyl)-1-piperazinecarbothioamide, 4-BENZYL-N-(2-PHENYLETHYL)PIPERAZINE-1-CARBOTHIOAMIDE, AJ-292/41694510
| Molecular Formula | C20H25N3S |
|---|---|
| Molecular Weight | 339.18 g/mol |
| LogP | 2.9214 |
| Topological Polar Surface Area | 18.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 339.1769 |
| Heavy Atoms | 24 |
| Complexity | 621.8469 |
Chemical Identifiers
| CAS Number | 401908-50-7 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C(=S)NCCC3=CC=CC=C3 |
Product Overview
4-benzyl-N-(2-phenylethyl)-1-piperazinecarbothioamide (CAS 401908-50-7), with molecular formula C20H25N3S and molecular weight 339.18 g/mol. IUPAC: 4-benzyl-N-(2-phenylethyl)piperazine-1-carbothioamide.
Chemical Property Profile of 4-benzyl-N-(2-phenylethyl)-1-piperazinecarbothioamide
Property Insights of 4-benzyl-N-(2-phenylethyl)-1-piperazinecarbothioamide
The XLogP value of 2.9214 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-benzyl-N-(2-phenylethyl)-1-piperazinecarbothioamide. With a topological polar surface area (TPSA) of 18.51 Ų, 4-benzyl-N-(2-phenylethyl)-1-piperazinecarbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-benzyl-N-(2-phenylethyl)-1-piperazinecarbothioamide 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 4-benzyl-N-(2-phenylethyl)-1-piperazinecarbothioamide?
The CAS number of 4-benzyl-N-(2-phenylethyl)-1-piperazinecarbothioamide is 401908-50-7.
What is the molecular formula of 4-benzyl-N-(2-phenylethyl)-1-piperazinecarbothioamide?
The molecular formula of 4-benzyl-N-(2-phenylethyl)-1-piperazinecarbothioamide is C20H25N3S.
What is the molecular weight of 4-benzyl-N-(2-phenylethyl)-1-piperazinecarbothioamide?
The molecular weight of 4-benzyl-N-(2-phenylethyl)-1-piperazinecarbothioamide is 339.18 g/mol.
Where can I buy 4-benzyl-N-(2-phenylethyl)-1-piperazinecarbothioamide?
You can request a quote for 4-benzyl-N-(2-phenylethyl)-1-piperazinecarbothioamide 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-phenylethyl)-1-piperazinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-benzyl-N-(2-phenylethyl)-1-piperazinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.