4-(benzenesulfonyl)-N-(2-phenylethyl)piperazine-1-carbothioamide
TL;DR: 4-(benzenesulfonyl)-N-(2-phenylethyl)piperazine-1-carbothioamide (CAS 795285-83-5) is a chemical compound with molecular formula C19H23N3O2S2 and molecular weight 389.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(benzenesulfonyl)-N-(2-phenylethyl)piperazine-1-carbothioamide
Also Known As: 4-(benzenesulfonyl)-N-(2-phenylethyl)piperazine-1-carbothioamide, N-(2-phenylethyl)-4-(phenylsulfonyl)-1-piperazinecarbothioamide, 4-(benzenesulfonyl)-N-phenethylpiperazine-1-carbothioamide, 4-{[(2-phenylethyl)amino]thioxomethyl}-1-(phenylsulfonyl)piperazine, N-(2-phenylethyl)-4-(phenylsulfonyl)piperazine-1-carbothioamide
| Molecular Formula | C19H23N3O2S2 |
|---|---|
| Molecular Weight | 389.12 g/mol |
| LogP | 2.1101 |
| Topological Polar Surface Area | 52.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 389.12317 |
| Heavy Atoms | 26 |
| Complexity | 818.37744 |
Chemical Identifiers
| CAS Number | 795285-83-5 |
|---|---|
| SMILES | C1CN(CCN1C(=S)NCCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3 |
Product Overview
4-(benzenesulfonyl)-N-(2-phenylethyl)piperazine-1-carbothioamide (CAS 795285-83-5), with molecular formula C19H23N3O2S2 and molecular weight 389.12 g/mol. IUPAC: 4-(benzenesulfonyl)-N-(2-phenylethyl)piperazine-1-carbothioamide.
Chemical Property Profile of 4-(benzenesulfonyl)-N-(2-phenylethyl)piperazine-1-carbothioamide
Property Insights of 4-(benzenesulfonyl)-N-(2-phenylethyl)piperazine-1-carbothioamide
The XLogP value of 2.1101 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(benzenesulfonyl)-N-(2-phenylethyl)piperazine-1-carbothioamide. With a topological polar surface area (TPSA) of 52.65 Ų, 4-(benzenesulfonyl)-N-(2-phenylethyl)piperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(benzenesulfonyl)-N-(2-phenylethyl)piperazine-1-carbothioamide has 1 hydrogen bond donor(s) and 3 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-(benzenesulfonyl)-N-(2-phenylethyl)piperazine-1-carbothioamide?
The CAS number of 4-(benzenesulfonyl)-N-(2-phenylethyl)piperazine-1-carbothioamide is 795285-83-5.
What is the molecular formula of 4-(benzenesulfonyl)-N-(2-phenylethyl)piperazine-1-carbothioamide?
The molecular formula of 4-(benzenesulfonyl)-N-(2-phenylethyl)piperazine-1-carbothioamide is C19H23N3O2S2.
What is the molecular weight of 4-(benzenesulfonyl)-N-(2-phenylethyl)piperazine-1-carbothioamide?
The molecular weight of 4-(benzenesulfonyl)-N-(2-phenylethyl)piperazine-1-carbothioamide is 389.12 g/mol.
Where can I buy 4-(benzenesulfonyl)-N-(2-phenylethyl)piperazine-1-carbothioamide?
You can request a quote for 4-(benzenesulfonyl)-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-(benzenesulfonyl)-N-(2-phenylethyl)piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(benzenesulfonyl)-N-(2-phenylethyl)piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.