![1-(1,3-Benzodioxol-5-ylmethyl)-4-[(4-methyl-3-nitrophenyl)sulfonyl]piperazine structure](/static/products/3247/324779-87-5.webp)
1-(1,3-Benzodioxol-5-ylmethyl)-4-[(4-methyl-3-nitrophenyl)sulfonyl]piperazine
TL;DR: 1-(1,3-Benzodioxol-5-ylmethyl)-4-[(4-methyl-3-nitrophenyl)sulfonyl]piperazine (CAS 324779-87-5) is a chemical compound with molecular formula C19H21N3O6S and molecular weight 419.12 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-(4-methyl-3-nitrophenyl)sulfonylpiperazine
Also Known As: AB00100776-01, 1-(1,3-benzodioxol-5-ylmethyl)-4-[(4-methyl-3-nitrophenyl)sulfonyl]piperazine, F0442-0019, 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-methyl-3-nitrobenzenesulfonyl)piperazine, 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-methyl-3-nitrophenyl)sulfonylpiperazine
| Molecular Formula | C19H21N3O6S |
|---|---|
| Molecular Weight | 419.12 g/mol |
| LogP | 2.13842 |
| Topological Polar Surface Area | 102.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 419.1151 |
| Heavy Atoms | 29 |
| Complexity | 1047.9052 |
Chemical Identifiers
| CAS Number | 324779-87-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)[N+](=O)[O-] |
Product Overview
1-(1,3-Benzodioxol-5-ylmethyl)-4-[(4-methyl-3-nitrophenyl)sulfonyl]piperazine (CAS 324779-87-5), with molecular formula C19H21N3O6S and molecular weight 419.12 g/mol. IUPAC: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-methyl-3-nitrophenyl)sulfonylpiperazine.
Chemical Property Profile of 1-(1,3-Benzodioxol-5-ylmethyl)-4-[(4-methyl-3-nitrophenyl)sulfonyl]piperazine
Property Insights of 1-(1,3-Benzodioxol-5-ylmethyl)-4-[(4-methyl-3-nitrophenyl)sulfonyl]piperazine
The XLogP value of 2.13842 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,3-Benzodioxol-5-ylmethyl)-4-[(4-methyl-3-nitrophenyl)sulfonyl]piperazine. The TPSA of 102.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,3-Benzodioxol-5-ylmethyl)-4-[(4-methyl-3-nitrophenyl)sulfonyl]piperazine. Following Lipinski's Rule of Five, 1-(1,3-Benzodioxol-5-ylmethyl)-4-[(4-methyl-3-nitrophenyl)sulfonyl]piperazine has 0 hydrogen bond donor(s) and 7 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-[(4-methyl-3-nitrophenyl)sulfonyl]piperazine?
The CAS number of 1-(1,3-Benzodioxol-5-ylmethyl)-4-[(4-methyl-3-nitrophenyl)sulfonyl]piperazine is 324779-87-5.
What is the molecular formula of 1-(1,3-Benzodioxol-5-ylmethyl)-4-[(4-methyl-3-nitrophenyl)sulfonyl]piperazine?
The molecular formula of 1-(1,3-Benzodioxol-5-ylmethyl)-4-[(4-methyl-3-nitrophenyl)sulfonyl]piperazine is C19H21N3O6S.
What is the molecular weight of 1-(1,3-Benzodioxol-5-ylmethyl)-4-[(4-methyl-3-nitrophenyl)sulfonyl]piperazine?
The molecular weight of 1-(1,3-Benzodioxol-5-ylmethyl)-4-[(4-methyl-3-nitrophenyl)sulfonyl]piperazine is 419.12 g/mol.
Where can I buy 1-(1,3-Benzodioxol-5-ylmethyl)-4-[(4-methyl-3-nitrophenyl)sulfonyl]piperazine?
You can request a quote for 1-(1,3-Benzodioxol-5-ylmethyl)-4-[(4-methyl-3-nitrophenyl)sulfonyl]piperazine 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-[(4-methyl-3-nitrophenyl)sulfonyl]piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzodioxol-5-ylmethyl)-4-[(4-methyl-3-nitrophenyl)sulfonyl]piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.