2,6-Di-tert-butyl-4-methyl-4-nitrocyclohexa-2,5-dien-1-one
TL;DR: 2,6-Di-tert-butyl-4-methyl-4-nitrocyclohexa-2,5-dien-1-one (CAS 20201-56-3) is a chemical compound with molecular formula C15H23NO3 and molecular weight 265.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-ditert-butyl-4-methyl-4-nitrocyclohexa-2,5-dien-1-one
Also Known As: 2,6-di-tert-butyl-4-methyl-4-nitrocyclohexa-2,5-dien-1-one, J3.493.408H, 2,6-di-tert-butyl-4-methyl-4-nitrocyclohexadienone, 2,6-ditert-butyl-4-methyl-4-nitrocyclohexa-2,5-dien-1-one, 4-nitro-4-methyl-2,6-di-t-butyl-2,5-cyclohexadienone
| Molecular Formula | C15H23NO3 |
|---|---|
| Molecular Weight | 265.17 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 265.1678 |
| Heavy Atoms | 19 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 20201-56-3 |
|---|---|
| SMILES | CC1(C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C)[N+](=O)[O-] |
| InChIKey | XVPLVFIJPIVZIZ-UHFFFAOYSA-N |
Product Overview
2,6-Di-tert-butyl-4-methyl-4-nitrocyclohexa-2,5-dien-1-one (CAS 20201-56-3), with molecular formula C15H23NO3 and molecular weight 265.17 g/mol. IUPAC: 2,6-ditert-butyl-4-methyl-4-nitrocyclohexa-2,5-dien-1-one.
Chemical Property Profile of 2,6-Di-tert-butyl-4-methyl-4-nitrocyclohexa-2,5-dien-1-one
Property Insights of 2,6-Di-tert-butyl-4-methyl-4-nitrocyclohexa-2,5-dien-1-one
The XLogP value of 4.2 indicates that 2,6-Di-tert-butyl-4-methyl-4-nitrocyclohexa-2,5-dien-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-Di-tert-butyl-4-methyl-4-nitrocyclohexa-2,5-dien-1-one. Following Lipinski's Rule of Five, 2,6-Di-tert-butyl-4-methyl-4-nitrocyclohexa-2,5-dien-1-one has 0 hydrogen bond donor(s) and 3 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 2,6-Di-tert-butyl-4-methyl-4-nitrocyclohexa-2,5-dien-1-one?
The CAS number of 2,6-Di-tert-butyl-4-methyl-4-nitrocyclohexa-2,5-dien-1-one is 20201-56-3.
What is the molecular formula of 2,6-Di-tert-butyl-4-methyl-4-nitrocyclohexa-2,5-dien-1-one?
The molecular formula of 2,6-Di-tert-butyl-4-methyl-4-nitrocyclohexa-2,5-dien-1-one is C15H23NO3.
What is the molecular weight of 2,6-Di-tert-butyl-4-methyl-4-nitrocyclohexa-2,5-dien-1-one?
The molecular weight of 2,6-Di-tert-butyl-4-methyl-4-nitrocyclohexa-2,5-dien-1-one is 265.17 g/mol.
Where can I buy 2,6-Di-tert-butyl-4-methyl-4-nitrocyclohexa-2,5-dien-1-one?
You can request a quote for 2,6-Di-tert-butyl-4-methyl-4-nitrocyclohexa-2,5-dien-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Di-tert-butyl-4-methyl-4-nitrocyclohexa-2,5-dien-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Di-tert-butyl-4-methyl-4-nitrocyclohexa-2,5-dien-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.