![1-(2,3-Dimethylphenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazine structure](/static/products/4148/414875-19-7.webp)
1-(2,3-Dimethylphenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazine
TL;DR: 1-(2,3-Dimethylphenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazine (CAS 414875-19-7) is a chemical compound with molecular formula C20H23N3O4 and molecular weight 369.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,3-dimethylphenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazine
Also Known As: 1-(2,3-dimethylphenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazine, 1-(2,3-dimethylphenyl)-4-[(6-nitrobenzo[1,3]dioxol-5-yl)methyl]piperazine, Cambridge id 5259353
| Molecular Formula | C20H23N3O4 |
|---|---|
| Molecular Weight | 369.17 g/mol |
| LogP | 3.26254 |
| Topological Polar Surface Area | 68.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 369.16885 |
| Heavy Atoms | 27 |
| Complexity | 875.7708 |
Chemical Identifiers
| CAS Number | 414875-19-7 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)N2CCN(CC2)CC3=CC4=C(C=C3[N+](=O)[O-])OCO4)C |
Product Overview
1-(2,3-Dimethylphenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazine (CAS 414875-19-7), with molecular formula C20H23N3O4 and molecular weight 369.17 g/mol. IUPAC: 1-(2,3-dimethylphenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazine.
Chemical Property Profile of 1-(2,3-Dimethylphenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazine
Property Insights of 1-(2,3-Dimethylphenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazine
The XLogP value of 3.26254 indicates that 1-(2,3-Dimethylphenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,3-Dimethylphenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazine. Following Lipinski's Rule of Five, 1-(2,3-Dimethylphenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)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-(2,3-Dimethylphenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazine?
The CAS number of 1-(2,3-Dimethylphenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazine is 414875-19-7.
What is the molecular formula of 1-(2,3-Dimethylphenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazine?
The molecular formula of 1-(2,3-Dimethylphenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazine is C20H23N3O4.
What is the molecular weight of 1-(2,3-Dimethylphenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazine?
The molecular weight of 1-(2,3-Dimethylphenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazine is 369.17 g/mol.
Where can I buy 1-(2,3-Dimethylphenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazine?
You can request a quote for 1-(2,3-Dimethylphenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)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-(2,3-Dimethylphenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,3-Dimethylphenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.