1-(1,3-Benzodioxol-5-ylmethyl)-4-(3-nitrobenzoyl)piperazine
TL;DR: 1-(1,3-Benzodioxol-5-ylmethyl)-4-(3-nitrobenzoyl)piperazine (CAS 346726-88-3) is a chemical compound with molecular formula C19H19N3O5 and molecular weight 369.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-nitrophenyl)methanone
Also Known As: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-nitrobenzoyl)piperazine, 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(3-nitrobenzoyl)piperazine, (4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)(3-nitrophenyl)methanone, [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-nitrophenyl)methanone, 1-(1,3-benzodioxol-5-ylmethyl)-4-{3-nitrobenzoyl}piperazine
| Molecular Formula | C19H19N3O5 |
|---|---|
| Molecular Weight | 369.13 g/mol |
| LogP | 2.2815 |
| Topological Polar Surface Area | 85.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 369.13248 |
| Heavy Atoms | 27 |
| Complexity | 877.39886 |
Chemical Identifiers
| CAS Number | 346726-88-3 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
1-(1,3-Benzodioxol-5-ylmethyl)-4-(3-nitrobenzoyl)piperazine (CAS 346726-88-3), with molecular formula C19H19N3O5 and molecular weight 369.13 g/mol. IUPAC: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-nitrophenyl)methanone.
Chemical Property Profile of 1-(1,3-Benzodioxol-5-ylmethyl)-4-(3-nitrobenzoyl)piperazine
Property Insights of 1-(1,3-Benzodioxol-5-ylmethyl)-4-(3-nitrobenzoyl)piperazine
The XLogP value of 2.2815 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,3-Benzodioxol-5-ylmethyl)-4-(3-nitrobenzoyl)piperazine. The TPSA of 85.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,3-Benzodioxol-5-ylmethyl)-4-(3-nitrobenzoyl)piperazine. Following Lipinski's Rule of Five, 1-(1,3-Benzodioxol-5-ylmethyl)-4-(3-nitrobenzoyl)piperazine has 0 hydrogen bond donor(s) and 6 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-(3-nitrobenzoyl)piperazine?
The CAS number of 1-(1,3-Benzodioxol-5-ylmethyl)-4-(3-nitrobenzoyl)piperazine is 346726-88-3.
What is the molecular formula of 1-(1,3-Benzodioxol-5-ylmethyl)-4-(3-nitrobenzoyl)piperazine?
The molecular formula of 1-(1,3-Benzodioxol-5-ylmethyl)-4-(3-nitrobenzoyl)piperazine is C19H19N3O5.
What is the molecular weight of 1-(1,3-Benzodioxol-5-ylmethyl)-4-(3-nitrobenzoyl)piperazine?
The molecular weight of 1-(1,3-Benzodioxol-5-ylmethyl)-4-(3-nitrobenzoyl)piperazine is 369.13 g/mol.
Where can I buy 1-(1,3-Benzodioxol-5-ylmethyl)-4-(3-nitrobenzoyl)piperazine?
You can request a quote for 1-(1,3-Benzodioxol-5-ylmethyl)-4-(3-nitrobenzoyl)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-(3-nitrobenzoyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzodioxol-5-ylmethyl)-4-(3-nitrobenzoyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.