![[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-nitrophenyl)methanone structure](/static/products/6761/6761-67-7.webp)
[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-nitrophenyl)methanone
TL;DR: [4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-nitrophenyl)methanone (CAS 6761-67-7) 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]-(4-nitrophenyl)methanone
Also Known As: BAS 01234474, AB00101232-01, [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-nitrophenyl)methanone, 1-(1,3-benzodioxol-5-ylmethyl)-4-{4-nitrobenzoyl}piperazine, (4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-(4-nitro-phenyl)-methanone
| 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 | 860.14886 |
Chemical Identifiers
| CAS Number | 6761-67-7 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-nitrophenyl)methanone (CAS 6761-67-7), with molecular formula C19H19N3O5 and molecular weight 369.13 g/mol. IUPAC: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-nitrophenyl)methanone.
Chemical Property Profile of [4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-nitrophenyl)methanone
Property Insights of [4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-nitrophenyl)methanone
The XLogP value of 2.2815 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-nitrophenyl)methanone. The TPSA of 85.15 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-nitrophenyl)methanone. Following Lipinski's Rule of Five, [4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-nitrophenyl)methanone 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 [4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-nitrophenyl)methanone?
The CAS number of [4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-nitrophenyl)methanone is 6761-67-7.
What is the molecular formula of [4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-nitrophenyl)methanone?
The molecular formula of [4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-nitrophenyl)methanone is C19H19N3O5.
What is the molecular weight of [4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-nitrophenyl)methanone?
The molecular weight of [4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-nitrophenyl)methanone is 369.13 g/mol.
Where can I buy [4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-nitrophenyl)methanone?
You can request a quote for [4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-nitrophenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-nitrophenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for [4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-nitrophenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.