4,6-Ditert-butyl-2-(4-nitrophenyl)-1,3-benzoxazol-7-ol
TL;DR: 4,6-Ditert-butyl-2-(4-nitrophenyl)-1,3-benzoxazol-7-ol (CAS 333778-45-3) is a chemical compound with molecular formula C21H24N2O4 and molecular weight 368.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-ditert-butyl-2-(4-nitrophenyl)-1,3-benzoxazol-7-ol
Also Known As: BAS 01029765, 4,6-ditert-butyl-2-(4-nitrophenyl)-1,3-benzoxazol-7-ol, 4,6-Di-tert-butyl-2-(4-nitro-phenyl)-benzooxazol-7-ol, 4,6-di-tert-butyl-2-(4-nitrophenyl)-1,3-benzoxazol-7-ol, 4,6-di-tert-butyl-2-(4-nitrophenyl)benzo[d]oxazol-7-ol
| Molecular Formula | C21H24N2O4 |
|---|---|
| Molecular Weight | 368.17 g/mol |
| LogP | 5.7036 |
| Topological Polar Surface Area | 89.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 368.1736 |
| Heavy Atoms | 27 |
| Complexity | 1019.4918 |
Chemical Identifiers
| CAS Number | 333778-45-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C(C2=C1N=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])O)C(C)(C)C |
Product Overview
4,6-Ditert-butyl-2-(4-nitrophenyl)-1,3-benzoxazol-7-ol (CAS 333778-45-3), with molecular formula C21H24N2O4 and molecular weight 368.17 g/mol. IUPAC: 4,6-ditert-butyl-2-(4-nitrophenyl)-1,3-benzoxazol-7-ol.
Chemical Property Profile of 4,6-Ditert-butyl-2-(4-nitrophenyl)-1,3-benzoxazol-7-ol
Property Insights of 4,6-Ditert-butyl-2-(4-nitrophenyl)-1,3-benzoxazol-7-ol
The XLogP value of 5.7036 indicates that 4,6-Ditert-butyl-2-(4-nitrophenyl)-1,3-benzoxazol-7-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,6-Ditert-butyl-2-(4-nitrophenyl)-1,3-benzoxazol-7-ol. Following Lipinski's Rule of Five, 4,6-Ditert-butyl-2-(4-nitrophenyl)-1,3-benzoxazol-7-ol has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,6-Ditert-butyl-2-(4-nitrophenyl)-1,3-benzoxazol-7-ol?
The CAS number of 4,6-Ditert-butyl-2-(4-nitrophenyl)-1,3-benzoxazol-7-ol is 333778-45-3.
What is the molecular formula of 4,6-Ditert-butyl-2-(4-nitrophenyl)-1,3-benzoxazol-7-ol?
The molecular formula of 4,6-Ditert-butyl-2-(4-nitrophenyl)-1,3-benzoxazol-7-ol is C21H24N2O4.
What is the molecular weight of 4,6-Ditert-butyl-2-(4-nitrophenyl)-1,3-benzoxazol-7-ol?
The molecular weight of 4,6-Ditert-butyl-2-(4-nitrophenyl)-1,3-benzoxazol-7-ol is 368.17 g/mol.
Where can I buy 4,6-Ditert-butyl-2-(4-nitrophenyl)-1,3-benzoxazol-7-ol?
You can request a quote for 4,6-Ditert-butyl-2-(4-nitrophenyl)-1,3-benzoxazol-7-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Ditert-butyl-2-(4-nitrophenyl)-1,3-benzoxazol-7-ol?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Ditert-butyl-2-(4-nitrophenyl)-1,3-benzoxazol-7-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.