![[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-methyl-3-nitrophenyl)methanone structure](/static/products/3496/349616-77-9.webp)
[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-methyl-3-nitrophenyl)methanone
TL;DR: [4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-methyl-3-nitrophenyl)methanone (CAS 349616-77-9) is a chemical compound with molecular formula C20H21N3O5 and molecular weight 383.15 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-methyl-3-nitrophenyl)methanone
Also Known As: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-methyl-3-nitrophenyl)methanone, 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-methyl-3-nitrobenzoyl)piperazine, (4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)(4-methyl-3-nitrophenyl)methanone, [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl](4-methyl-3-nitrophenyl)methanone, [4-(benzo[1,3]dioxol-5-ylmethyl)piperazin-1-yl]-(4-methyl-3-nitro-phenyl)methanone
| Molecular Formula | C20H21N3O5 |
|---|---|
| Molecular Weight | 383.15 g/mol |
| LogP | 2.58992 |
| Topological Polar Surface Area | 85.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 383.14813 |
| Heavy Atoms | 28 |
| Complexity | 922.0523 |
Chemical Identifiers
| CAS Number | 349616-77-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)[N+](=O)[O-] |
Product Overview
[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-methyl-3-nitrophenyl)methanone (CAS 349616-77-9), with molecular formula C20H21N3O5 and molecular weight 383.15 g/mol. IUPAC: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-methyl-3-nitrophenyl)methanone.
Chemical Property Profile of [4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-methyl-3-nitrophenyl)methanone
Property Insights of [4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-methyl-3-nitrophenyl)methanone
The XLogP value of 2.58992 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-methyl-3-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-methyl-3-nitrophenyl)methanone. Following Lipinski's Rule of Five, [4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-methyl-3-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-methyl-3-nitrophenyl)methanone?
The CAS number of [4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-methyl-3-nitrophenyl)methanone is 349616-77-9.
What is the molecular formula of [4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-methyl-3-nitrophenyl)methanone?
The molecular formula of [4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-methyl-3-nitrophenyl)methanone is C20H21N3O5.
What is the molecular weight of [4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-methyl-3-nitrophenyl)methanone?
The molecular weight of [4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-methyl-3-nitrophenyl)methanone is 383.15 g/mol.
Where can I buy [4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-methyl-3-nitrophenyl)methanone?
You can request a quote for [4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-methyl-3-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-methyl-3-nitrophenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for [4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-methyl-3-nitrophenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.