3,5-Ditert-butyl-2-nitroaniline
TL;DR: 3,5-Ditert-butyl-2-nitroaniline (CAS 60190-51-4) 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.
3,5-ditert-butyl-2-nitroaniline
Also Known As: 3,5-ditert-butyl-2-nitroaniline, 3,5-Di-tert-butyl-2-nitro-anilin, 3,5-bis(tert-butyl)-2-nitrophenylamine, 3,5-DI-TERT-BUTYL-2-NITROANILINE, AE-562/43286990
| 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 | 60190-51-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C(C(=C1)N)[N+](=O)[O-])C(C)(C)C |
Product Overview
3,5-Ditert-butyl-2-nitroaniline (CAS 60190-51-4), with molecular formula C14H22N2O2 and molecular weight 250.17 g/mol. IUPAC: 3,5-ditert-butyl-2-nitroaniline.
Chemical Property Profile of 3,5-Ditert-butyl-2-nitroaniline
Property Insights of 3,5-Ditert-butyl-2-nitroaniline
The XLogP value of 3.772 indicates that 3,5-Ditert-butyl-2-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 3,5-Ditert-butyl-2-nitroaniline. Following Lipinski's Rule of Five, 3,5-Ditert-butyl-2-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 3,5-Ditert-butyl-2-nitroaniline?
The CAS number of 3,5-Ditert-butyl-2-nitroaniline is 60190-51-4.
What is the molecular formula of 3,5-Ditert-butyl-2-nitroaniline?
The molecular formula of 3,5-Ditert-butyl-2-nitroaniline is C14H22N2O2.
What is the molecular weight of 3,5-Ditert-butyl-2-nitroaniline?
The molecular weight of 3,5-Ditert-butyl-2-nitroaniline is 250.17 g/mol.
Where can I buy 3,5-Ditert-butyl-2-nitroaniline?
You can request a quote for 3,5-Ditert-butyl-2-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Ditert-butyl-2-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Ditert-butyl-2-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.