1,3-Benzodioxole-5-methanamine, N-(4,5-dimethoxy-2-nitrophenyl)-
TL;DR: 1,3-Benzodioxole-5-methanamine, N-(4,5-dimethoxy-2-nitrophenyl)- (CAS 53493-61-1) is a chemical compound with molecular formula C16H16N2O6 and molecular weight 332.10083 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(1,3-benzodioxol-5-ylmethyl)-4,5-dimethoxy-2-nitroaniline
Also Known As: 1,3-Benzodioxole-5-methanamine, N-(4,5-dimethoxy-2-nitrophenyl)-, N-(4,5-Dimethoxy-2-nitrophenyl)-1,3-benzodioxole-5-methanamine, n-(1,3-benzodioxol-5-ylmethyl)-4,5-dimethoxy-2-nitroaniline, N-(benzo[1,3]dioxol-5-ylmethyl)-4,5-dimethoxy-2-nitro-aniline, N-[(2H-1,3-Benzodioxol-5-yl)methyl]-4,5-dimethoxy-2-nitroaniline
Technical Specifications
| Molecular Formula | C16H16N2O6 |
| Molecular Weight | 332.10083 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 94.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 332.10083 Da |
| Heavy Atoms | 24 |
| Complexity | 431.0 |
| SMILES | COC1=C(C=C(C(=C1)NCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-])OC |
| InChIKey | YTFKDKVVIUGRQN-UHFFFAOYSA-N |
Chemical Property Profile of 1,3-Benzodioxole-5-methanamine, N-(4,5-dimethoxy-2-nitrophenyl)-
Property Insights of 1,3-Benzodioxole-5-methanamine, N-(4,5-dimethoxy-2-nitrophenyl)-
The XLogP value of 3.5 indicates that 1,3-Benzodioxole-5-methanamine, N-(4,5-dimethoxy-2-nitrophenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Benzodioxole-5-methanamine, N-(4,5-dimethoxy-2-nitrophenyl)-. Following Lipinski's Rule of Five, 1,3-Benzodioxole-5-methanamine, N-(4,5-dimethoxy-2-nitrophenyl)- has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,3-Benzodioxole-5-methanamine, N-(4,5-dimethoxy-2-nitrophenyl)-?
The CAS number of 1,3-Benzodioxole-5-methanamine, N-(4,5-dimethoxy-2-nitrophenyl)- is 53493-61-1.
What is the molecular formula of 1,3-Benzodioxole-5-methanamine, N-(4,5-dimethoxy-2-nitrophenyl)-?
The molecular formula of 1,3-Benzodioxole-5-methanamine, N-(4,5-dimethoxy-2-nitrophenyl)- is C16H16N2O6.
What is the molecular weight of 1,3-Benzodioxole-5-methanamine, N-(4,5-dimethoxy-2-nitrophenyl)-?
The molecular weight of 1,3-Benzodioxole-5-methanamine, N-(4,5-dimethoxy-2-nitrophenyl)- is 332.10083 g/mol.
Where can I buy 1,3-Benzodioxole-5-methanamine, N-(4,5-dimethoxy-2-nitrophenyl)-?
You can request a quote for 1,3-Benzodioxole-5-methanamine, N-(4,5-dimethoxy-2-nitrophenyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Benzodioxole-5-methanamine, N-(4,5-dimethoxy-2-nitrophenyl)-?
Yes, CoreyChem provides custom synthesis services for 1,3-Benzodioxole-5-methanamine, N-(4,5-dimethoxy-2-nitrophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.