o-Benzoquinone, 4,6-di-tert-butyl-3-nitro-
TL;DR: o-Benzoquinone, 4,6-di-tert-butyl-3-nitro- (CAS 24457-00-9) is a chemical compound with molecular formula C14H19NO4 and molecular weight 265.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-ditert-butyl-3-nitrocyclohexa-3,5-diene-1,2-dione
Also Known As: o-Benzoquinone, 4,6-di-tert-butyl-3-nitro-, 4,6-di(tert-butyl)-3-nitro-1,2-benzoquinone, 4,6-di(t-butyl)-3-nitro-1,2-benzoquinone, 4,6-di-t-butyl-3-nitro-1,2-ben-zoquinone, 4,6-Di-tert-butyl-3-nitro-1,2-benzoquinone
| Molecular Formula | C14H19NO4 |
|---|---|
| Molecular Weight | 265.13 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 80.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 265.1314 |
| Heavy Atoms | 19 |
| Complexity | 519.0 |
Chemical Identifiers
| CAS Number | 24457-00-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C(C(=O)C1=O)[N+](=O)[O-])C(C)(C)C |
| InChIKey | MXGLSZOKCUOVNO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
o-Benzoquinone, 4,6-di-tert-butyl-3-nitro- (CAS 24457-00-9), with molecular formula C14H19NO4 and molecular weight 265.13 g/mol. IUPAC: 4,6-ditert-butyl-3-nitrocyclohexa-3,5-diene-1,2-dione.
Chemical Property Profile of o-Benzoquinone, 4,6-di-tert-butyl-3-nitro-
Property Insights of o-Benzoquinone, 4,6-di-tert-butyl-3-nitro-
The XLogP value of 3.3 indicates that o-Benzoquinone, 4,6-di-tert-butyl-3-nitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.0 Ų falls within the moderate polarity range, balancing permeability and solubility for o-Benzoquinone, 4,6-di-tert-butyl-3-nitro-. Following Lipinski's Rule of Five, o-Benzoquinone, 4,6-di-tert-butyl-3-nitro- has 0 hydrogen bond donor(s) and 4 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 o-Benzoquinone, 4,6-di-tert-butyl-3-nitro-?
The CAS number of o-Benzoquinone, 4,6-di-tert-butyl-3-nitro- is 24457-00-9.
What is the molecular formula of o-Benzoquinone, 4,6-di-tert-butyl-3-nitro-?
The molecular formula of o-Benzoquinone, 4,6-di-tert-butyl-3-nitro- is C14H19NO4.
What is the molecular weight of o-Benzoquinone, 4,6-di-tert-butyl-3-nitro-?
The molecular weight of o-Benzoquinone, 4,6-di-tert-butyl-3-nitro- is 265.13 g/mol.
Where can I buy o-Benzoquinone, 4,6-di-tert-butyl-3-nitro-?
You can request a quote for o-Benzoquinone, 4,6-di-tert-butyl-3-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-Benzoquinone, 4,6-di-tert-butyl-3-nitro-?
Yes, KEHONG BIO provides custom synthesis services for o-Benzoquinone, 4,6-di-tert-butyl-3-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.