![3-(Tert-butyl)-6-nitroindeno[3,2-C]isoxazol-4-one structure](/static/products/1022/1022731-57-2.webp)
3-(Tert-butyl)-6-nitroindeno[3,2-C]isoxazol-4-one
TL;DR: 3-(Tert-butyl)-6-nitroindeno[3,2-C]isoxazol-4-one (CAS 1022731-57-2) is a chemical compound with molecular formula C14H12N2O4 and molecular weight 272.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-tert-butyl-6-nitroindeno[1,2-c][1,2]oxazol-4-one
Also Known As: 3-tert-butyl-6-nitro-4H-indeno[1,2-c][1,2]oxazol-4-one, 3-(TERT-BUTYL)-6-NITROINDENO[3,2-C]ISOXAZOL-4-ONE, 3-tert-butyl-6-nitroindeno[1,2-c][1,2]oxazol-4-one, 3-tert-butyl-6-nitro-indeno[1,2-c]isoxazol-4-one
| Molecular Formula | C14H12N2O4 |
|---|---|
| Molecular Weight | 272.08 g/mol |
| LogP | 3.0917 |
| Topological Polar Surface Area | 86.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 272.0797 |
| Heavy Atoms | 20 |
| Complexity | 753.0198 |
Chemical Identifiers
| CAS Number | 1022731-57-2 |
|---|---|
| SMILES | CC(C)(C)C1=C2C(=NO1)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-] |
Product Overview
3-(Tert-butyl)-6-nitroindeno[3,2-C]isoxazol-4-one (CAS 1022731-57-2), with molecular formula C14H12N2O4 and molecular weight 272.08 g/mol. IUPAC: 3-tert-butyl-6-nitroindeno[1,2-c][1,2]oxazol-4-one.
Chemical Property Profile of 3-(Tert-butyl)-6-nitroindeno[3,2-C]isoxazol-4-one
Property Insights of 3-(Tert-butyl)-6-nitroindeno[3,2-C]isoxazol-4-one
The XLogP value of 3.0917 indicates that 3-(Tert-butyl)-6-nitroindeno[3,2-C]isoxazol-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Tert-butyl)-6-nitroindeno[3,2-C]isoxazol-4-one. Following Lipinski's Rule of Five, 3-(Tert-butyl)-6-nitroindeno[3,2-C]isoxazol-4-one has 0 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 3-(Tert-butyl)-6-nitroindeno[3,2-C]isoxazol-4-one?
The CAS number of 3-(Tert-butyl)-6-nitroindeno[3,2-C]isoxazol-4-one is 1022731-57-2.
What is the molecular formula of 3-(Tert-butyl)-6-nitroindeno[3,2-C]isoxazol-4-one?
The molecular formula of 3-(Tert-butyl)-6-nitroindeno[3,2-C]isoxazol-4-one is C14H12N2O4.
What is the molecular weight of 3-(Tert-butyl)-6-nitroindeno[3,2-C]isoxazol-4-one?
The molecular weight of 3-(Tert-butyl)-6-nitroindeno[3,2-C]isoxazol-4-one is 272.08 g/mol.
Where can I buy 3-(Tert-butyl)-6-nitroindeno[3,2-C]isoxazol-4-one?
You can request a quote for 3-(Tert-butyl)-6-nitroindeno[3,2-C]isoxazol-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Tert-butyl)-6-nitroindeno[3,2-C]isoxazol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(Tert-butyl)-6-nitroindeno[3,2-C]isoxazol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.