4-Tert-butyl-2,5-dinitroaniline
TL;DR: 4-Tert-butyl-2,5-dinitroaniline (CAS 22545-31-9) is a chemical compound with molecular formula C10H13N3O4 and molecular weight 239.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-2,5-dinitroaniline
Also Known As: 4-tert-butyl-2,5-dinitroaniline, AE-562/12222462
| Molecular Formula | C10H13N3O4 |
|---|---|
| Molecular Weight | 239.09 g/mol |
| LogP | 2.3827 |
| Topological Polar Surface Area | 112.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.0906 |
| Heavy Atoms | 17 |
| Complexity | 491.05975 |
Chemical Identifiers
| CAS Number | 22545-31-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C(C=C1[N+](=O)[O-])N)[N+](=O)[O-] |
Product Overview
4-Tert-butyl-2,5-dinitroaniline (CAS 22545-31-9), with molecular formula C10H13N3O4 and molecular weight 239.09 g/mol. IUPAC: 4-tert-butyl-2,5-dinitroaniline.
Chemical Property Profile of 4-Tert-butyl-2,5-dinitroaniline
Property Insights of 4-Tert-butyl-2,5-dinitroaniline
The XLogP value of 2.3827 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Tert-butyl-2,5-dinitroaniline. The TPSA of 112.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Tert-butyl-2,5-dinitroaniline. Following Lipinski's Rule of Five, 4-Tert-butyl-2,5-dinitroaniline 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-2,5-dinitroaniline?
The CAS number of 4-Tert-butyl-2,5-dinitroaniline is 22545-31-9.
What is the molecular formula of 4-Tert-butyl-2,5-dinitroaniline?
The molecular formula of 4-Tert-butyl-2,5-dinitroaniline is C10H13N3O4.
What is the molecular weight of 4-Tert-butyl-2,5-dinitroaniline?
The molecular weight of 4-Tert-butyl-2,5-dinitroaniline is 239.09 g/mol.
Where can I buy 4-Tert-butyl-2,5-dinitroaniline?
You can request a quote for 4-Tert-butyl-2,5-dinitroaniline 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-2,5-dinitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-Tert-butyl-2,5-dinitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.