![1,3-Benzodioxol-5-yl-[4-(4-nitrophenyl)piperazin-1-yl]methanone structure](/static/products/3466/346698-88-2.webp)
1,3-Benzodioxol-5-yl-[4-(4-nitrophenyl)piperazin-1-yl]methanone
TL;DR: 1,3-Benzodioxol-5-yl-[4-(4-nitrophenyl)piperazin-1-yl]methanone (CAS 346698-88-2) is a chemical compound with molecular formula C18H17N3O5 and molecular weight 355.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzodioxol-5-yl-[4-(4-nitrophenyl)piperazin-1-yl]methanone
Also Known As: BAS 01129900, 1-(2H-1,3-BENZODIOXOLE-5-CARBONYL)-4-(4-NITROPHENYL)PIPERAZINE, 1,3-benzodioxol-5-yl-[4-(4-nitrophenyl)piperazin-1-yl]methanone, F1161-0058, Benzo[1,3]dioxol-5-yl-[4-(4-nitro-phenyl)-piperazin-1-yl]-methanone
| Molecular Formula | C18H17N3O5 |
|---|---|
| Molecular Weight | 355.12 g/mol |
| LogP | 2.2859 |
| Topological Polar Surface Area | 85.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 355.11682 |
| Heavy Atoms | 26 |
| Complexity | 844.4051 |
Chemical Identifiers
| CAS Number | 346698-88-2 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC4=C(C=C3)OCO4 |
Product Overview
1,3-Benzodioxol-5-yl-[4-(4-nitrophenyl)piperazin-1-yl]methanone (CAS 346698-88-2), with molecular formula C18H17N3O5 and molecular weight 355.12 g/mol. IUPAC: 1,3-benzodioxol-5-yl-[4-(4-nitrophenyl)piperazin-1-yl]methanone.
Chemical Property Profile of 1,3-Benzodioxol-5-yl-[4-(4-nitrophenyl)piperazin-1-yl]methanone
Property Insights of 1,3-Benzodioxol-5-yl-[4-(4-nitrophenyl)piperazin-1-yl]methanone
The XLogP value of 2.2859 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzodioxol-5-yl-[4-(4-nitrophenyl)piperazin-1-yl]methanone. The TPSA of 85.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Benzodioxol-5-yl-[4-(4-nitrophenyl)piperazin-1-yl]methanone. Following Lipinski's Rule of Five, 1,3-Benzodioxol-5-yl-[4-(4-nitrophenyl)piperazin-1-yl]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 1,3-Benzodioxol-5-yl-[4-(4-nitrophenyl)piperazin-1-yl]methanone?
The CAS number of 1,3-Benzodioxol-5-yl-[4-(4-nitrophenyl)piperazin-1-yl]methanone is 346698-88-2.
What is the molecular formula of 1,3-Benzodioxol-5-yl-[4-(4-nitrophenyl)piperazin-1-yl]methanone?
The molecular formula of 1,3-Benzodioxol-5-yl-[4-(4-nitrophenyl)piperazin-1-yl]methanone is C18H17N3O5.
What is the molecular weight of 1,3-Benzodioxol-5-yl-[4-(4-nitrophenyl)piperazin-1-yl]methanone?
The molecular weight of 1,3-Benzodioxol-5-yl-[4-(4-nitrophenyl)piperazin-1-yl]methanone is 355.12 g/mol.
Where can I buy 1,3-Benzodioxol-5-yl-[4-(4-nitrophenyl)piperazin-1-yl]methanone?
You can request a quote for 1,3-Benzodioxol-5-yl-[4-(4-nitrophenyl)piperazin-1-yl]methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzodioxol-5-yl-[4-(4-nitrophenyl)piperazin-1-yl]methanone?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxol-5-yl-[4-(4-nitrophenyl)piperazin-1-yl]methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.