1-(1,3-benzodioxol-5-ylmethyl)-4-(4,5-dimethoxy-2-nitrobenzoyl)piperazine
TL;DR: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4,5-dimethoxy-2-nitrobenzoyl)piperazine (CAS 349440-63-7) is a chemical compound with molecular formula C21H23N3O7 and molecular weight 429.15 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]-(4,5-dimethoxy-2-nitrophenyl)methanone
Also Known As: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4,5-dimethoxy-2-nitrobenzoyl)piperazine, (4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)(4,5-dimethoxy-2-nitrophenyl)methanone, [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl](4,5-dimethoxy-2-nitrophenyl)methanone, [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4,5-dimethoxy-2-nitrophenyl)methanone, [4-(1,3-BENZODIOXOL-5-YLMETHYL)PIPERAZINO](4,5-DIMETHOXY-2-NITROPHENYL)METHANONE
| Molecular Formula | C21H23N3O7 |
|---|---|
| Molecular Weight | 429.15 g/mol |
| LogP | 2.2987 |
| Topological Polar Surface Area | 103.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 429.1536 |
| Heavy Atoms | 31 |
| Complexity | 1002.7081 |
Chemical Identifiers
| CAS Number | 349440-63-7 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)[N+](=O)[O-])OC |
Product Overview
1-(1,3-benzodioxol-5-ylmethyl)-4-(4,5-dimethoxy-2-nitrobenzoyl)piperazine (CAS 349440-63-7), with molecular formula C21H23N3O7 and molecular weight 429.15 g/mol. IUPAC: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4,5-dimethoxy-2-nitrophenyl)methanone.
Chemical Property Profile of 1-(1,3-benzodioxol-5-ylmethyl)-4-(4,5-dimethoxy-2-nitrobenzoyl)piperazine
Property Insights of 1-(1,3-benzodioxol-5-ylmethyl)-4-(4,5-dimethoxy-2-nitrobenzoyl)piperazine
The XLogP value of 2.2987 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,3-benzodioxol-5-ylmethyl)-4-(4,5-dimethoxy-2-nitrobenzoyl)piperazine. The TPSA of 103.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,3-benzodioxol-5-ylmethyl)-4-(4,5-dimethoxy-2-nitrobenzoyl)piperazine. Following Lipinski's Rule of Five, 1-(1,3-benzodioxol-5-ylmethyl)-4-(4,5-dimethoxy-2-nitrobenzoyl)piperazine has 0 hydrogen bond donor(s) and 8 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-(4,5-dimethoxy-2-nitrobenzoyl)piperazine?
The CAS number of 1-(1,3-benzodioxol-5-ylmethyl)-4-(4,5-dimethoxy-2-nitrobenzoyl)piperazine is 349440-63-7.
What is the molecular formula of 1-(1,3-benzodioxol-5-ylmethyl)-4-(4,5-dimethoxy-2-nitrobenzoyl)piperazine?
The molecular formula of 1-(1,3-benzodioxol-5-ylmethyl)-4-(4,5-dimethoxy-2-nitrobenzoyl)piperazine is C21H23N3O7.
What is the molecular weight of 1-(1,3-benzodioxol-5-ylmethyl)-4-(4,5-dimethoxy-2-nitrobenzoyl)piperazine?
The molecular weight of 1-(1,3-benzodioxol-5-ylmethyl)-4-(4,5-dimethoxy-2-nitrobenzoyl)piperazine is 429.15 g/mol.
Where can I buy 1-(1,3-benzodioxol-5-ylmethyl)-4-(4,5-dimethoxy-2-nitrobenzoyl)piperazine?
You can request a quote for 1-(1,3-benzodioxol-5-ylmethyl)-4-(4,5-dimethoxy-2-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-(4,5-dimethoxy-2-nitrobenzoyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-benzodioxol-5-ylmethyl)-4-(4,5-dimethoxy-2-nitrobenzoyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.