2,4,6-Tri-tert-butyl-4-(morpholin-4-yl)cyclohexa-2,5-dien-1-one
TL;DR: 2,4,6-Tri-tert-butyl-4-(morpholin-4-yl)cyclohexa-2,5-dien-1-one (CAS 36897-05-9) is a chemical compound with molecular formula C22H37NO2 and molecular weight 347.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,6-tritert-butyl-4-morpholin-4-ylcyclohexa-2,5-dien-1-one
Also Known As: 2,4,6-tritert-butyl-4-morpholin-4-ylcyclohexa-2,5-dien-1-one, 2,4,6-Tri-tert-butyl-4-(morpholin-4-yl)cyclohexa-2,5-dien-1-one, 4-morpholin-4-yl-2,4,6-tritert-butyl-cyclohexa-2,5-dien-1-one
| Molecular Formula | C22H37NO2 |
|---|---|
| Molecular Weight | 347.28 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.28244 |
| Heavy Atoms | 25 |
| Complexity | 551.0 |
Chemical Identifiers
| CAS Number | 36897-05-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC(C=C(C1=O)C(C)(C)C)(C(C)(C)C)N2CCOCC2 |
| InChIKey | RFDSPYITBNYHCO-UHFFFAOYSA-N |
Product Overview
2,4,6-Tri-tert-butyl-4-(morpholin-4-yl)cyclohexa-2,5-dien-1-one (CAS 36897-05-9), with molecular formula C22H37NO2 and molecular weight 347.28 g/mol. IUPAC: 2,4,6-tritert-butyl-4-morpholin-4-ylcyclohexa-2,5-dien-1-one.
Chemical Property Profile of 2,4,6-Tri-tert-butyl-4-(morpholin-4-yl)cyclohexa-2,5-dien-1-one
Property Insights of 2,4,6-Tri-tert-butyl-4-(morpholin-4-yl)cyclohexa-2,5-dien-1-one
The XLogP value of 5.2 indicates that 2,4,6-Tri-tert-butyl-4-(morpholin-4-yl)cyclohexa-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 29.5 Ų, 2,4,6-Tri-tert-butyl-4-(morpholin-4-yl)cyclohexa-2,5-dien-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,6-Tri-tert-butyl-4-(morpholin-4-yl)cyclohexa-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 2,4,6-Tri-tert-butyl-4-(morpholin-4-yl)cyclohexa-2,5-dien-1-one?
The CAS number of 2,4,6-Tri-tert-butyl-4-(morpholin-4-yl)cyclohexa-2,5-dien-1-one is 36897-05-9.
What is the molecular formula of 2,4,6-Tri-tert-butyl-4-(morpholin-4-yl)cyclohexa-2,5-dien-1-one?
The molecular formula of 2,4,6-Tri-tert-butyl-4-(morpholin-4-yl)cyclohexa-2,5-dien-1-one is C22H37NO2.
What is the molecular weight of 2,4,6-Tri-tert-butyl-4-(morpholin-4-yl)cyclohexa-2,5-dien-1-one?
The molecular weight of 2,4,6-Tri-tert-butyl-4-(morpholin-4-yl)cyclohexa-2,5-dien-1-one is 347.28 g/mol.
Where can I buy 2,4,6-Tri-tert-butyl-4-(morpholin-4-yl)cyclohexa-2,5-dien-1-one?
You can request a quote for 2,4,6-Tri-tert-butyl-4-(morpholin-4-yl)cyclohexa-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 2,4,6-Tri-tert-butyl-4-(morpholin-4-yl)cyclohexa-2,5-dien-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Tri-tert-butyl-4-(morpholin-4-yl)cyclohexa-2,5-dien-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.