4-(Toluene-4-sulfonyl)-piperazin-1-ylamine
TL;DR: 4-(Toluene-4-sulfonyl)-piperazin-1-ylamine (CAS 6591-95-3) is a chemical compound with molecular formula C20H17ClN2O2S2 and molecular weight 416.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(3-methylphenyl)propanamide
Also Known As: 4-(Toluene-4-sulfonyl)-piperazin-1-ylamine, N-Amino-N''-p-tolylsulfonyl-piperazin, (Z)-3-(5-(2-chlorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-N-(m-tolyl)propanamide, 3-[(5Z)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-(3-methylphenyl)propanamide, 3-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(3-methylphenyl)propanamide
| Molecular Formula | C20H17ClN2O2S2 |
|---|---|
| Molecular Weight | 416.04 g/mol |
| LogP | 4.87842 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.042 |
| Heavy Atoms | 27 |
| Complexity | 943.08386 |
Chemical Identifiers
| CAS Number | 6591-95-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)CCN2C(=O)/C(=C/C3=CC=CC=C3Cl)/SC2=S |
Product Overview
4-(Toluene-4-sulfonyl)-piperazin-1-ylamine (CAS 6591-95-3), with molecular formula C20H17ClN2O2S2 and molecular weight 416.04 g/mol. IUPAC: 3-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(3-methylphenyl)propanamide.
Chemical Property Profile of 4-(Toluene-4-sulfonyl)-piperazin-1-ylamine
Property Insights of 4-(Toluene-4-sulfonyl)-piperazin-1-ylamine
The XLogP value of 4.87842 indicates that 4-(Toluene-4-sulfonyl)-piperazin-1-ylamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.41 Ų, 4-(Toluene-4-sulfonyl)-piperazin-1-ylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Toluene-4-sulfonyl)-piperazin-1-ylamine 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-(Toluene-4-sulfonyl)-piperazin-1-ylamine?
The CAS number of 4-(Toluene-4-sulfonyl)-piperazin-1-ylamine is 6591-95-3.
What is the molecular formula of 4-(Toluene-4-sulfonyl)-piperazin-1-ylamine?
The molecular formula of 4-(Toluene-4-sulfonyl)-piperazin-1-ylamine is C20H17ClN2O2S2.
What is the molecular weight of 4-(Toluene-4-sulfonyl)-piperazin-1-ylamine?
The molecular weight of 4-(Toluene-4-sulfonyl)-piperazin-1-ylamine is 416.04 g/mol.
Where can I buy 4-(Toluene-4-sulfonyl)-piperazin-1-ylamine?
You can request a quote for 4-(Toluene-4-sulfonyl)-piperazin-1-ylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Toluene-4-sulfonyl)-piperazin-1-ylamine?
Yes, KEHONG BIO provides custom synthesis services for 4-(Toluene-4-sulfonyl)-piperazin-1-ylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.