2-(5,7-Ditert-butyl-2,3-dihydro-1,3-benzoxazol-2-yl)-6-nitrophenol
TL;DR: 2-(5,7-Ditert-butyl-2,3-dihydro-1,3-benzoxazol-2-yl)-6-nitrophenol (CAS 309272-79-5) is a chemical compound with molecular formula C21H26N2O4 and molecular weight 370.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5,7-ditert-butyl-2,3-dihydro-1,3-benzoxazol-2-yl)-6-nitrophenol
Also Known As: BAS 01029745, 2-(5,7-ditert-butyl-2,3-dihydro-1,3-benzoxazol-2-yl)-6-nitrophenol, A2077/0087313, 2-(5,7-di-tert-butyl-2,3-dihydro-1,3-benzoxazol-2-yl)-6-nitrophenol, 2-(5,7-Di-tert-butyl-2,3-dihydro-benzooxazol-2-yl)-6-nitro-phenol
| Molecular Formula | C21H26N2O4 |
|---|---|
| Molecular Weight | 370.19 g/mol |
| LogP | 5.3985 |
| Topological Polar Surface Area | 84.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 370.18927 |
| Heavy Atoms | 27 |
| Complexity | 907.61835 |
Chemical Identifiers
| CAS Number | 309272-79-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C2C(=C1)NC(O2)C3=C(C(=CC=C3)[N+](=O)[O-])O)C(C)(C)C |
Product Overview
2-(5,7-Ditert-butyl-2,3-dihydro-1,3-benzoxazol-2-yl)-6-nitrophenol (CAS 309272-79-5), with molecular formula C21H26N2O4 and molecular weight 370.19 g/mol. IUPAC: 2-(5,7-ditert-butyl-2,3-dihydro-1,3-benzoxazol-2-yl)-6-nitrophenol.
Chemical Property Profile of 2-(5,7-Ditert-butyl-2,3-dihydro-1,3-benzoxazol-2-yl)-6-nitrophenol
Property Insights of 2-(5,7-Ditert-butyl-2,3-dihydro-1,3-benzoxazol-2-yl)-6-nitrophenol
The XLogP value of 5.3985 indicates that 2-(5,7-Ditert-butyl-2,3-dihydro-1,3-benzoxazol-2-yl)-6-nitrophenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5,7-Ditert-butyl-2,3-dihydro-1,3-benzoxazol-2-yl)-6-nitrophenol. Following Lipinski's Rule of Five, 2-(5,7-Ditert-butyl-2,3-dihydro-1,3-benzoxazol-2-yl)-6-nitrophenol has 2 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 2-(5,7-Ditert-butyl-2,3-dihydro-1,3-benzoxazol-2-yl)-6-nitrophenol?
The CAS number of 2-(5,7-Ditert-butyl-2,3-dihydro-1,3-benzoxazol-2-yl)-6-nitrophenol is 309272-79-5.
What is the molecular formula of 2-(5,7-Ditert-butyl-2,3-dihydro-1,3-benzoxazol-2-yl)-6-nitrophenol?
The molecular formula of 2-(5,7-Ditert-butyl-2,3-dihydro-1,3-benzoxazol-2-yl)-6-nitrophenol is C21H26N2O4.
What is the molecular weight of 2-(5,7-Ditert-butyl-2,3-dihydro-1,3-benzoxazol-2-yl)-6-nitrophenol?
The molecular weight of 2-(5,7-Ditert-butyl-2,3-dihydro-1,3-benzoxazol-2-yl)-6-nitrophenol is 370.19 g/mol.
Where can I buy 2-(5,7-Ditert-butyl-2,3-dihydro-1,3-benzoxazol-2-yl)-6-nitrophenol?
You can request a quote for 2-(5,7-Ditert-butyl-2,3-dihydro-1,3-benzoxazol-2-yl)-6-nitrophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5,7-Ditert-butyl-2,3-dihydro-1,3-benzoxazol-2-yl)-6-nitrophenol?
Yes, KEHONG BIO provides custom synthesis services for 2-(5,7-Ditert-butyl-2,3-dihydro-1,3-benzoxazol-2-yl)-6-nitrophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.