2,6-Ditert-butyl-4-phenylmethoxyiminocyclohexa-2,5-dien-1-one
TL;DR: 2,6-Ditert-butyl-4-phenylmethoxyiminocyclohexa-2,5-dien-1-one (CAS 83933-90-8) is a chemical compound with molecular formula C21H27NO2 and molecular weight 325.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-ditert-butyl-4-phenylmethoxyiminocyclohexa-2,5-dien-1-one
Also Known As: 2,6-ditert-butylbenzo-1,4-quinone 4-(O-benzyloxime), AE-848/30539002, 2,6-ditert-butyl-4-phenylmethoxyiminocyclohexa-2,5-dien-1-one
| Molecular Formula | C21H27NO2 |
|---|---|
| Molecular Weight | 325.20 g/mol |
| LogP | 5.0869 |
| Topological Polar Surface Area | 38.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 325.2042 |
| Heavy Atoms | 24 |
| Complexity | 659.59454 |
Chemical Identifiers
| CAS Number | 83933-90-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=NOCC2=CC=CC=C2)C=C(C1=O)C(C)(C)C |
Product Overview
2,6-Ditert-butyl-4-phenylmethoxyiminocyclohexa-2,5-dien-1-one (CAS 83933-90-8), with molecular formula C21H27NO2 and molecular weight 325.20 g/mol. IUPAC: 2,6-ditert-butyl-4-phenylmethoxyiminocyclohexa-2,5-dien-1-one.
Chemical Property Profile of 2,6-Ditert-butyl-4-phenylmethoxyiminocyclohexa-2,5-dien-1-one
Property Insights of 2,6-Ditert-butyl-4-phenylmethoxyiminocyclohexa-2,5-dien-1-one
The XLogP value of 5.0869 indicates that 2,6-Ditert-butyl-4-phenylmethoxyiminocyclohexa-2,5-dien-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.66 Ų, 2,6-Ditert-butyl-4-phenylmethoxyiminocyclohexa-2,5-dien-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Ditert-butyl-4-phenylmethoxyiminocyclohexa-2,5-dien-1-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,6-Ditert-butyl-4-phenylmethoxyiminocyclohexa-2,5-dien-1-one?
The CAS number of 2,6-Ditert-butyl-4-phenylmethoxyiminocyclohexa-2,5-dien-1-one is 83933-90-8.
What is the molecular formula of 2,6-Ditert-butyl-4-phenylmethoxyiminocyclohexa-2,5-dien-1-one?
The molecular formula of 2,6-Ditert-butyl-4-phenylmethoxyiminocyclohexa-2,5-dien-1-one is C21H27NO2.
What is the molecular weight of 2,6-Ditert-butyl-4-phenylmethoxyiminocyclohexa-2,5-dien-1-one?
The molecular weight of 2,6-Ditert-butyl-4-phenylmethoxyiminocyclohexa-2,5-dien-1-one is 325.20 g/mol.
Where can I buy 2,6-Ditert-butyl-4-phenylmethoxyiminocyclohexa-2,5-dien-1-one?
You can request a quote for 2,6-Ditert-butyl-4-phenylmethoxyiminocyclohexa-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-Ditert-butyl-4-phenylmethoxyiminocyclohexa-2,5-dien-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Ditert-butyl-4-phenylmethoxyiminocyclohexa-2,5-dien-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.