2,4-Ditert-butyl-3-nitroaniline
TL;DR: 2,4-Ditert-butyl-3-nitroaniline (CAS 13733-12-5) is a chemical compound with molecular formula C14H22N2O2 and molecular weight 250.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-ditert-butyl-3-nitroaniline
Also Known As: 2,4-ditert-butyl-3-nitroaniline, 2,4-Di-tert-butyl-3-nitroaniline, 2,4-bis(tert-butyl)-3-nitrophenylamine, AE-562/12222741
| Molecular Formula | C14H22N2O2 |
|---|---|
| Molecular Weight | 250.17 g/mol |
| LogP | 3.772 |
| Topological Polar Surface Area | 69.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 250.16812 |
| Heavy Atoms | 18 |
| Complexity | 479.79297 |
Chemical Identifiers
| CAS Number | 13733-12-5 |
|---|---|
| SMILES | CC(C)(C)C1=C(C(=C(C=C1)N)C(C)(C)C)[N+](=O)[O-] |
Product Overview
2,4-Ditert-butyl-3-nitroaniline (CAS 13733-12-5), with molecular formula C14H22N2O2 and molecular weight 250.17 g/mol. IUPAC: 2,4-ditert-butyl-3-nitroaniline.
Chemical Property Profile of 2,4-Ditert-butyl-3-nitroaniline
Property Insights of 2,4-Ditert-butyl-3-nitroaniline
The XLogP value of 3.772 indicates that 2,4-Ditert-butyl-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 2,4-Ditert-butyl-3-nitroaniline. Following Lipinski's Rule of Five, 2,4-Ditert-butyl-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 2,4-Ditert-butyl-3-nitroaniline?
The CAS number of 2,4-Ditert-butyl-3-nitroaniline is 13733-12-5.
What is the molecular formula of 2,4-Ditert-butyl-3-nitroaniline?
The molecular formula of 2,4-Ditert-butyl-3-nitroaniline is C14H22N2O2.
What is the molecular weight of 2,4-Ditert-butyl-3-nitroaniline?
The molecular weight of 2,4-Ditert-butyl-3-nitroaniline is 250.17 g/mol.
Where can I buy 2,4-Ditert-butyl-3-nitroaniline?
You can request a quote for 2,4-Ditert-butyl-3-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Ditert-butyl-3-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Ditert-butyl-3-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.