Methyl (3,5-di-tert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)azinate
TL;DR: Methyl (3,5-di-tert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)azinate (CAS 15052-27-4) is a chemical compound with molecular formula C15H23NO3 and molecular weight 265.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-ditert-butyl-4-[methoxy(oxo)azaniumyl]phenolate
Also Known As: 3,5-ditert-butyl-N-methoxy-4-oxocyclohexa-2,5-dien-1-imine oxide, Methyl (3,5-di-tert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)azinate, 2,5-Cyclohexadien-1-one,2,6-bis(1,1-dimethylethyl)-4-(methyl-aci-nitro)-, 3,5-Di-tert.-butyl-4-oxo-2,5-cyclohexadien-nitronsaeure-methylester
| Molecular Formula | C15H23NO3 |
|---|---|
| Molecular Weight | 265.17 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 52.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 265.1678 |
| Heavy Atoms | 19 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 15052-27-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1[O-])C(C)(C)C)[N+](=O)OC |
| InChIKey | DDNMJFLOMBXHCP-UHFFFAOYSA-N |
Product Overview
Methyl (3,5-di-tert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)azinate (CAS 15052-27-4), with molecular formula C15H23NO3 and molecular weight 265.17 g/mol. IUPAC: 2,6-ditert-butyl-4-[methoxy(oxo)azaniumyl]phenolate.
Chemical Property Profile of Methyl (3,5-di-tert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)azinate
Property Insights of Methyl (3,5-di-tert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)azinate
The XLogP value of 5.3 indicates that Methyl (3,5-di-tert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)azinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.4 Ų, Methyl (3,5-di-tert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)azinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl (3,5-di-tert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)azinate 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 Methyl (3,5-di-tert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)azinate?
The CAS number of Methyl (3,5-di-tert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)azinate is 15052-27-4.
What is the molecular formula of Methyl (3,5-di-tert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)azinate?
The molecular formula of Methyl (3,5-di-tert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)azinate is C15H23NO3.
What is the molecular weight of Methyl (3,5-di-tert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)azinate?
The molecular weight of Methyl (3,5-di-tert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)azinate is 265.17 g/mol.
Where can I buy Methyl (3,5-di-tert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)azinate?
You can request a quote for Methyl (3,5-di-tert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)azinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (3,5-di-tert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)azinate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (3,5-di-tert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)azinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.