1-(1,3-Benzodioxol-5-ylmethyl)-4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium
TL;DR: 1-(1,3-Benzodioxol-5-ylmethyl)-4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium (CAS 6746-13-0) is a chemical compound with molecular formula C18H19Cl2N2O4S+ and molecular weight 429.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium
Also Known As: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium, 1-(benzo[1,3]dioxol-5-ylmethyl)-4-(2,5-dichlorophenyl)sulfonyl-2,3,5,6-tetrahydropyrazine, 1-[(2H-1,3-Benzodioxol-5-yl)methyl]-4-(2,5-dichlorobenzene-1-sulfonyl)piperazin-1-ium
| Molecular Formula | C18H19Cl2N2O4S+ |
|---|---|
| Molecular Weight | 429.04 g/mol |
| LogP | 1.8115 |
| Topological Polar Surface Area | 60.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 429.04425 |
| Heavy Atoms | 27 |
| Complexity | 959.82916 |
Chemical Identifiers
| CAS Number | 6746-13-0 |
|---|---|
| SMILES | C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=C(C=CC(=C4)Cl)Cl |
Product Overview
1-(1,3-Benzodioxol-5-ylmethyl)-4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium (CAS 6746-13-0), with molecular formula C18H19Cl2N2O4S+ and molecular weight 429.04 g/mol. IUPAC: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium.
Chemical Property Profile of 1-(1,3-Benzodioxol-5-ylmethyl)-4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium
Property Insights of 1-(1,3-Benzodioxol-5-ylmethyl)-4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium
The XLogP value of 1.8115 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,3-Benzodioxol-5-ylmethyl)-4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium. The TPSA of 60.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,3-Benzodioxol-5-ylmethyl)-4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium. Following Lipinski's Rule of Five, 1-(1,3-Benzodioxol-5-ylmethyl)-4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium 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 1-(1,3-Benzodioxol-5-ylmethyl)-4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium?
The CAS number of 1-(1,3-Benzodioxol-5-ylmethyl)-4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium is 6746-13-0.
What is the molecular formula of 1-(1,3-Benzodioxol-5-ylmethyl)-4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium?
The molecular formula of 1-(1,3-Benzodioxol-5-ylmethyl)-4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium is C18H19Cl2N2O4S+.
What is the molecular weight of 1-(1,3-Benzodioxol-5-ylmethyl)-4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium?
The molecular weight of 1-(1,3-Benzodioxol-5-ylmethyl)-4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium is 429.04 g/mol.
Where can I buy 1-(1,3-Benzodioxol-5-ylmethyl)-4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium?
You can request a quote for 1-(1,3-Benzodioxol-5-ylmethyl)-4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,3-Benzodioxol-5-ylmethyl)-4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzodioxol-5-ylmethyl)-4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.