(1E)-1-tert-Butyl-3-(4-nitrophenyl)triaz-1-ene
TL;DR: (1E)-1-tert-Butyl-3-(4-nitrophenyl)triaz-1-ene (CAS 91038-04-9) is a chemical compound with molecular formula C10H14N4O2 and molecular weight 222.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(tert-butyldiazenyl)-4-nitroaniline
Also Known As: N-(tert-butyldiazenyl)-4-nitroaniline, 1,2,3-Benzotriazin-4-ol,1,4-dihydro, 4-NITRO-N-TERT-BUTYLDIAZENYL-ANILINE, (1E)-1-tert-Butyl-3-(4-nitrophenyl)triaz-1-ene
| Molecular Formula | C10H14N4O2 |
|---|---|
| Molecular Weight | 222.11 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 82.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.11168 |
| Heavy Atoms | 16 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 91038-04-9 |
|---|---|
| SMILES | CC(C)(C)N=NNC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | FIUHCPFMGFASDM-UHFFFAOYSA-N |
Product Overview
(1E)-1-tert-Butyl-3-(4-nitrophenyl)triaz-1-ene (CAS 91038-04-9), with molecular formula C10H14N4O2 and molecular weight 222.11 g/mol. IUPAC: N-(tert-butyldiazenyl)-4-nitroaniline.
Chemical Property Profile of (1E)-1-tert-Butyl-3-(4-nitrophenyl)triaz-1-ene
Property Insights of (1E)-1-tert-Butyl-3-(4-nitrophenyl)triaz-1-ene
The XLogP value of 3.1 indicates that (1E)-1-tert-Butyl-3-(4-nitrophenyl)triaz-1-ene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (1E)-1-tert-Butyl-3-(4-nitrophenyl)triaz-1-ene. Following Lipinski's Rule of Five, (1E)-1-tert-Butyl-3-(4-nitrophenyl)triaz-1-ene 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 (1E)-1-tert-Butyl-3-(4-nitrophenyl)triaz-1-ene?
The CAS number of (1E)-1-tert-Butyl-3-(4-nitrophenyl)triaz-1-ene is 91038-04-9.
What is the molecular formula of (1E)-1-tert-Butyl-3-(4-nitrophenyl)triaz-1-ene?
The molecular formula of (1E)-1-tert-Butyl-3-(4-nitrophenyl)triaz-1-ene is C10H14N4O2.
What is the molecular weight of (1E)-1-tert-Butyl-3-(4-nitrophenyl)triaz-1-ene?
The molecular weight of (1E)-1-tert-Butyl-3-(4-nitrophenyl)triaz-1-ene is 222.11 g/mol.
Where can I buy (1E)-1-tert-Butyl-3-(4-nitrophenyl)triaz-1-ene?
You can request a quote for (1E)-1-tert-Butyl-3-(4-nitrophenyl)triaz-1-ene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1E)-1-tert-Butyl-3-(4-nitrophenyl)triaz-1-ene?
Yes, KEHONG BIO provides custom synthesis services for (1E)-1-tert-Butyl-3-(4-nitrophenyl)triaz-1-ene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.