2,5-Cyclohexadien-1-one, 2,6-bis(1,1-dimethylethyl)-4-(phenylmethylene)-
TL;DR: 2,5-Cyclohexadien-1-one, 2,6-bis(1,1-dimethylethyl)-4-(phenylmethylene)- (CAS 91021-76-0) is a chemical compound with molecular formula C21H26O and molecular weight 294.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzylidene-2,6-ditert-butylcyclohexa-2,5-dien-1-one
Also Known As: 4-benzylidene-2,6-di-tert-butylcyclohexa-2,5-dien-1-one, AMY322, 2,6-BIS(1,1-DIMETHYLETHYL)-4-(PHENYLMETHYLENE)-2,5-CYCLOHEXADIEN-1-ONE, 4-benzylidene-2,6-di-tert-butylcyclohexa-2,5-dienone, CXA 6007
| Molecular Formula | C21H26O |
|---|---|
| Molecular Weight | 294.20 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 294.19836 |
| Heavy Atoms | 22 |
| Complexity | 487.0 |
Chemical Identifiers
| CAS Number | 91021-76-0 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC2=CC=CC=C2)C=C(C1=O)C(C)(C)C |
| InChIKey | HCUWXYBKPSKTAB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5-Cyclohexadien-1-one, 2,6-bis(1,1-dimethylethyl)-4-(phenylmethylene)- (CAS 91021-76-0), with molecular formula C21H26O and molecular weight 294.20 g/mol. IUPAC: 4-benzylidene-2,6-ditert-butylcyclohexa-2,5-dien-1-one.
Chemical Property Profile of 2,5-Cyclohexadien-1-one, 2,6-bis(1,1-dimethylethyl)-4-(phenylmethylene)-
Property Insights of 2,5-Cyclohexadien-1-one, 2,6-bis(1,1-dimethylethyl)-4-(phenylmethylene)-
The XLogP value of 6.1 indicates that 2,5-Cyclohexadien-1-one, 2,6-bis(1,1-dimethylethyl)-4-(phenylmethylene)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2,5-Cyclohexadien-1-one, 2,6-bis(1,1-dimethylethyl)-4-(phenylmethylene)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Cyclohexadien-1-one, 2,6-bis(1,1-dimethylethyl)-4-(phenylmethylene)- has 0 hydrogen bond donor(s) and 1 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-Cyclohexadien-1-one, 2,6-bis(1,1-dimethylethyl)-4-(phenylmethylene)-?
The CAS number of 2,5-Cyclohexadien-1-one, 2,6-bis(1,1-dimethylethyl)-4-(phenylmethylene)- is 91021-76-0.
What is the molecular formula of 2,5-Cyclohexadien-1-one, 2,6-bis(1,1-dimethylethyl)-4-(phenylmethylene)-?
The molecular formula of 2,5-Cyclohexadien-1-one, 2,6-bis(1,1-dimethylethyl)-4-(phenylmethylene)- is C21H26O.
What is the molecular weight of 2,5-Cyclohexadien-1-one, 2,6-bis(1,1-dimethylethyl)-4-(phenylmethylene)-?
The molecular weight of 2,5-Cyclohexadien-1-one, 2,6-bis(1,1-dimethylethyl)-4-(phenylmethylene)- is 294.20 g/mol.
Where can I buy 2,5-Cyclohexadien-1-one, 2,6-bis(1,1-dimethylethyl)-4-(phenylmethylene)-?
You can request a quote for 2,5-Cyclohexadien-1-one, 2,6-bis(1,1-dimethylethyl)-4-(phenylmethylene)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Cyclohexadien-1-one, 2,6-bis(1,1-dimethylethyl)-4-(phenylmethylene)-?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Cyclohexadien-1-one, 2,6-bis(1,1-dimethylethyl)-4-(phenylmethylene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.