4,6-Ditert-butyl-2-methyl-3-nitroaniline
TL;DR: 4,6-Ditert-butyl-2-methyl-3-nitroaniline (CAS 101261-01-2) is a chemical compound with molecular formula C15H24N2O2 and molecular weight 264.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-ditert-butyl-2-methyl-3-nitroaniline
Also Known As: 4,6-ditert-butyl-2-methyl-3-nitroaniline, 4,6-Di-tert-butyl-2-methyl-3-nitro-anilin, 4,6-di-tert-butyl-2-methyl-3-nitro-aniline, AE-562/12222355
| Molecular Formula | C15H24N2O2 |
|---|---|
| Molecular Weight | 264.18 g/mol |
| LogP | 4.08042 |
| Topological Polar Surface Area | 69.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 264.18378 |
| Heavy Atoms | 19 |
| Complexity | 520.41785 |
Chemical Identifiers
| CAS Number | 101261-01-2 |
|---|---|
| SMILES | CC1=C(C(=CC(=C1[N+](=O)[O-])C(C)(C)C)C(C)(C)C)N |
Product Overview
4,6-Ditert-butyl-2-methyl-3-nitroaniline (CAS 101261-01-2), with molecular formula C15H24N2O2 and molecular weight 264.18 g/mol. IUPAC: 4,6-ditert-butyl-2-methyl-3-nitroaniline.
Chemical Property Profile of 4,6-Ditert-butyl-2-methyl-3-nitroaniline
Property Insights of 4,6-Ditert-butyl-2-methyl-3-nitroaniline
The XLogP value of 4.08042 indicates that 4,6-Ditert-butyl-2-methyl-3-nitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,6-Ditert-butyl-2-methyl-3-nitroaniline. Following Lipinski's Rule of Five, 4,6-Ditert-butyl-2-methyl-3-nitroaniline has 1 hydrogen bond donor(s) and 3 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 4,6-Ditert-butyl-2-methyl-3-nitroaniline?
The CAS number of 4,6-Ditert-butyl-2-methyl-3-nitroaniline is 101261-01-2.
What is the molecular formula of 4,6-Ditert-butyl-2-methyl-3-nitroaniline?
The molecular formula of 4,6-Ditert-butyl-2-methyl-3-nitroaniline is C15H24N2O2.
What is the molecular weight of 4,6-Ditert-butyl-2-methyl-3-nitroaniline?
The molecular weight of 4,6-Ditert-butyl-2-methyl-3-nitroaniline is 264.18 g/mol.
Where can I buy 4,6-Ditert-butyl-2-methyl-3-nitroaniline?
You can request a quote for 4,6-Ditert-butyl-2-methyl-3-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Ditert-butyl-2-methyl-3-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Ditert-butyl-2-methyl-3-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.