2,6-Ditert-butyl-4-(phenylimino)-2,5-cyclohexadien-1-one
TL;DR: 2,6-Ditert-butyl-4-(phenylimino)-2,5-cyclohexadien-1-one (CAS 14329-20-5) is a chemical compound with molecular formula C20H25NO and molecular weight 295.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-ditert-butyl-4-phenyliminocyclohexa-2,5-dien-1-one
Also Known As: 2,6-Ditert-butyl-4-(phenylimino)-2,5-cyclohexadien-1-one, 2,6-ditert-butyl-4-phenyliminocyclohexa-2,5-dien-1-one, AE-848/30539001, 2,5-Cyclohexadien-1-one, 2,6-bis(1,1-dimethylethyl)-4-(phenylimino)-, 2,6-Ditert-butyl-4-(phenylimino)-2,5-cyclohexadien-1-one #
| Molecular Formula | C20H25NO |
|---|---|
| Molecular Weight | 295.19 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.1936 |
| Heavy Atoms | 22 |
| Complexity | 493.0 |
Chemical Identifiers
| CAS Number | 14329-20-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=NC2=CC=CC=C2)C=C(C1=O)C(C)(C)C |
| InChIKey | CXVKVRZNTQUYKW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-Ditert-butyl-4-(phenylimino)-2,5-cyclohexadien-1-one (CAS 14329-20-5), with molecular formula C20H25NO and molecular weight 295.19 g/mol. IUPAC: 2,6-ditert-butyl-4-phenyliminocyclohexa-2,5-dien-1-one.
Chemical Property Profile of 2,6-Ditert-butyl-4-(phenylimino)-2,5-cyclohexadien-1-one
Property Insights of 2,6-Ditert-butyl-4-(phenylimino)-2,5-cyclohexadien-1-one
The XLogP value of 5.2 indicates that 2,6-Ditert-butyl-4-(phenylimino)-2,5-cyclohexadien-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.4 Ų, 2,6-Ditert-butyl-4-(phenylimino)-2,5-cyclohexadien-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Ditert-butyl-4-(phenylimino)-2,5-cyclohexadien-1-one has 0 hydrogen bond donor(s) and 2 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-(phenylimino)-2,5-cyclohexadien-1-one?
The CAS number of 2,6-Ditert-butyl-4-(phenylimino)-2,5-cyclohexadien-1-one is 14329-20-5.
What is the molecular formula of 2,6-Ditert-butyl-4-(phenylimino)-2,5-cyclohexadien-1-one?
The molecular formula of 2,6-Ditert-butyl-4-(phenylimino)-2,5-cyclohexadien-1-one is C20H25NO.
What is the molecular weight of 2,6-Ditert-butyl-4-(phenylimino)-2,5-cyclohexadien-1-one?
The molecular weight of 2,6-Ditert-butyl-4-(phenylimino)-2,5-cyclohexadien-1-one is 295.19 g/mol.
Where can I buy 2,6-Ditert-butyl-4-(phenylimino)-2,5-cyclohexadien-1-one?
You can request a quote for 2,6-Ditert-butyl-4-(phenylimino)-2,5-cyclohexadien-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-(phenylimino)-2,5-cyclohexadien-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Ditert-butyl-4-(phenylimino)-2,5-cyclohexadien-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.