3,5-ditert-butyl-N-ethoxy-4-oxocyclohexa-2,5-dien-1-imine oxide
TL;DR: 3,5-ditert-butyl-N-ethoxy-4-oxocyclohexa-2,5-dien-1-imine oxide (CAS 15052-29-6) is a chemical compound with molecular formula C16H25NO3 and molecular weight 279.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-ditert-butyl-4-[ethoxy(oxo)azaniumyl]phenolate
Also Known As: 3,5-ditert-butyl-N-ethoxy-4-oxocyclohexa-2,5-dien-1-imine oxide, Ethyl (3,5-di-tert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)azinate
| Molecular Formula | C16H25NO3 |
|---|---|
| Molecular Weight | 279.18 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 52.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 279.18344 |
| Heavy Atoms | 20 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 15052-29-6 |
|---|---|
| SMILES | CCO[N+](=O)C1=CC(=C(C(=C1)C(C)(C)C)[O-])C(C)(C)C |
| InChIKey | XHJCAFOKDUXTBC-UHFFFAOYSA-N |
Product Overview
3,5-ditert-butyl-N-ethoxy-4-oxocyclohexa-2,5-dien-1-imine oxide (CAS 15052-29-6), with molecular formula C16H25NO3 and molecular weight 279.18 g/mol. IUPAC: 2,6-ditert-butyl-4-[ethoxy(oxo)azaniumyl]phenolate.
Chemical Property Profile of 3,5-ditert-butyl-N-ethoxy-4-oxocyclohexa-2,5-dien-1-imine oxide
Property Insights of 3,5-ditert-butyl-N-ethoxy-4-oxocyclohexa-2,5-dien-1-imine oxide
The XLogP value of 5.6 indicates that 3,5-ditert-butyl-N-ethoxy-4-oxocyclohexa-2,5-dien-1-imine oxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.4 Ų, 3,5-ditert-butyl-N-ethoxy-4-oxocyclohexa-2,5-dien-1-imine oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-ditert-butyl-N-ethoxy-4-oxocyclohexa-2,5-dien-1-imine oxide 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 3,5-ditert-butyl-N-ethoxy-4-oxocyclohexa-2,5-dien-1-imine oxide?
The CAS number of 3,5-ditert-butyl-N-ethoxy-4-oxocyclohexa-2,5-dien-1-imine oxide is 15052-29-6.
What is the molecular formula of 3,5-ditert-butyl-N-ethoxy-4-oxocyclohexa-2,5-dien-1-imine oxide?
The molecular formula of 3,5-ditert-butyl-N-ethoxy-4-oxocyclohexa-2,5-dien-1-imine oxide is C16H25NO3.
What is the molecular weight of 3,5-ditert-butyl-N-ethoxy-4-oxocyclohexa-2,5-dien-1-imine oxide?
The molecular weight of 3,5-ditert-butyl-N-ethoxy-4-oxocyclohexa-2,5-dien-1-imine oxide is 279.18 g/mol.
Where can I buy 3,5-ditert-butyl-N-ethoxy-4-oxocyclohexa-2,5-dien-1-imine oxide?
You can request a quote for 3,5-ditert-butyl-N-ethoxy-4-oxocyclohexa-2,5-dien-1-imine oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-ditert-butyl-N-ethoxy-4-oxocyclohexa-2,5-dien-1-imine oxide?
Yes, KEHONG BIO provides custom synthesis services for 3,5-ditert-butyl-N-ethoxy-4-oxocyclohexa-2,5-dien-1-imine oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.