![4-(tert-butyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline structure](/static/products/3067/306730-49-4.webp)
4-(tert-butyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline
TL;DR: 4-(tert-butyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline (CAS 306730-49-4) is a chemical compound with molecular formula C18H20N2O4 and molecular weight 328.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline
Also Known As: 4-(tert-butyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline, 4-tert-butyl-N-[(6-nitro-2H-1,3-benzodioxol-5-yl)methyl]aniline, 4-tert-butyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline, [4-(tert-butyl)phenyl][(6-nitro(2H-benzo[3,4-d]1,3-dioxolan-5-yl))methyl]amine
| Molecular Formula | C18H20N2O4 |
|---|---|
| Molecular Weight | 328.14 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 76.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.1423 |
| Heavy Atoms | 24 |
| Complexity | 437.0 |
Chemical Identifiers
| CAS Number | 306730-49-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)NCC2=CC3=C(C=C2[N+](=O)[O-])OCO3 |
| InChIKey | WBVGZTMKZMMBCJ-UHFFFAOYSA-N |
Product Overview
4-(tert-butyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline (CAS 306730-49-4), with molecular formula C18H20N2O4 and molecular weight 328.14 g/mol. IUPAC: 4-tert-butyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline.
Chemical Property Profile of 4-(tert-butyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline
Property Insights of 4-(tert-butyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline
The XLogP value of 4.7 indicates that 4-(tert-butyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(tert-butyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline. Following Lipinski's Rule of Five, 4-(tert-butyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline has 1 hydrogen bond donor(s) and 5 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-(tert-butyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline?
The CAS number of 4-(tert-butyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline is 306730-49-4.
What is the molecular formula of 4-(tert-butyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline?
The molecular formula of 4-(tert-butyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline is C18H20N2O4.
What is the molecular weight of 4-(tert-butyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline?
The molecular weight of 4-(tert-butyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline is 328.14 g/mol.
Where can I buy 4-(tert-butyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline?
You can request a quote for 4-(tert-butyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(tert-butyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-(tert-butyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.