![1-(1,3-Benzodioxol-5-ylmethyl)-4-[(2-nitrophenyl)methyl]piperazine structure](/static/products/4148/414888-80-5.webp)
1-(1,3-Benzodioxol-5-ylmethyl)-4-[(2-nitrophenyl)methyl]piperazine
TL;DR: 1-(1,3-Benzodioxol-5-ylmethyl)-4-[(2-nitrophenyl)methyl]piperazine (CAS 414888-80-5) is a chemical compound with molecular formula C19H21N3O4 and molecular weight 355.15 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-nitrophenyl)methyl]piperazine
Also Known As: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2-nitrobenzyl)piperazine, 1-(1,3-benzodioxol-5-ylmethyl)-4-[(2-nitrophenyl)methyl]piperazine, 1-(benzo[1,3]dioxol-5-ylmethyl)-4-[(2-nitrophenyl)methyl]piperazine, 1-[(2H-1,3-Benzodioxol-5-yl)methyl]-4-[(2-nitrophenyl)methyl]piperazine, 1-(2H-1,3-BENZODIOXOL-5-YLMETHYL)-4-[(2-NITROPHENYL)METHYL]PIPERAZINE
| Molecular Formula | C19H21N3O4 |
|---|---|
| Molecular Weight | 355.15 g/mol |
| LogP | 2.6413 |
| Topological Polar Surface Area | 68.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 355.1532 |
| Heavy Atoms | 26 |
| Complexity | 803.1213 |
Chemical Identifiers
| CAS Number | 414888-80-5 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4[N+](=O)[O-] |
Product Overview
1-(1,3-Benzodioxol-5-ylmethyl)-4-[(2-nitrophenyl)methyl]piperazine (CAS 414888-80-5), with molecular formula C19H21N3O4 and molecular weight 355.15 g/mol. IUPAC: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(2-nitrophenyl)methyl]piperazine.
Chemical Property Profile of 1-(1,3-Benzodioxol-5-ylmethyl)-4-[(2-nitrophenyl)methyl]piperazine
Property Insights of 1-(1,3-Benzodioxol-5-ylmethyl)-4-[(2-nitrophenyl)methyl]piperazine
The XLogP value of 2.6413 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,3-Benzodioxol-5-ylmethyl)-4-[(2-nitrophenyl)methyl]piperazine. The TPSA of 68.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,3-Benzodioxol-5-ylmethyl)-4-[(2-nitrophenyl)methyl]piperazine. Following Lipinski's Rule of Five, 1-(1,3-Benzodioxol-5-ylmethyl)-4-[(2-nitrophenyl)methyl]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-[(2-nitrophenyl)methyl]piperazine?
The CAS number of 1-(1,3-Benzodioxol-5-ylmethyl)-4-[(2-nitrophenyl)methyl]piperazine is 414888-80-5.
What is the molecular formula of 1-(1,3-Benzodioxol-5-ylmethyl)-4-[(2-nitrophenyl)methyl]piperazine?
The molecular formula of 1-(1,3-Benzodioxol-5-ylmethyl)-4-[(2-nitrophenyl)methyl]piperazine is C19H21N3O4.
What is the molecular weight of 1-(1,3-Benzodioxol-5-ylmethyl)-4-[(2-nitrophenyl)methyl]piperazine?
The molecular weight of 1-(1,3-Benzodioxol-5-ylmethyl)-4-[(2-nitrophenyl)methyl]piperazine is 355.15 g/mol.
Where can I buy 1-(1,3-Benzodioxol-5-ylmethyl)-4-[(2-nitrophenyl)methyl]piperazine?
You can request a quote for 1-(1,3-Benzodioxol-5-ylmethyl)-4-[(2-nitrophenyl)methyl]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-[(2-nitrophenyl)methyl]piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzodioxol-5-ylmethyl)-4-[(2-nitrophenyl)methyl]piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.