Acetyl-2,6-dimethyl-4-benzoquinone imine
TL;DR: Acetyl-2,6-dimethyl-4-benzoquinone imine (CAS 74827-85-3) is a chemical compound with molecular formula C10H11NO2 and molecular weight 177.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,6-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)acetamide
Also Known As: 2,6-Dimenapqi, 2,6-Dimethyl-napqi, NA-2,6-Bqi, Acetyl-2,6-dimethyl-4-benzoquinone imine, Acetyl-2,6-dimethyl-p-benzoquinoneimine
| Molecular Formula | C10H11NO2 |
|---|---|
| Molecular Weight | 177.08 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 177.07898 |
| Heavy Atoms | 13 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 74827-85-3 |
|---|---|
| SMILES | CC1=CC(=O)C=C(C1=NC(=O)C)C |
| InChIKey | PVNGHNQFCJYGGG-UHFFFAOYSA-N |
Product Overview
Acetyl-2,6-dimethyl-4-benzoquinone imine (CAS 74827-85-3), with molecular formula C10H11NO2 and molecular weight 177.08 g/mol. IUPAC: N-(2,6-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)acetamide.
Chemical Property Profile of Acetyl-2,6-dimethyl-4-benzoquinone imine
Property Insights of Acetyl-2,6-dimethyl-4-benzoquinone imine
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetyl-2,6-dimethyl-4-benzoquinone imine. With a topological polar surface area (TPSA) of 46.5 Ų, Acetyl-2,6-dimethyl-4-benzoquinone imine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetyl-2,6-dimethyl-4-benzoquinone imine has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acetyl-2,6-dimethyl-4-benzoquinone imine?
The CAS number of Acetyl-2,6-dimethyl-4-benzoquinone imine is 74827-85-3.
What is the molecular formula of Acetyl-2,6-dimethyl-4-benzoquinone imine?
The molecular formula of Acetyl-2,6-dimethyl-4-benzoquinone imine is C10H11NO2.
What is the molecular weight of Acetyl-2,6-dimethyl-4-benzoquinone imine?
The molecular weight of Acetyl-2,6-dimethyl-4-benzoquinone imine is 177.08 g/mol.
Where can I buy Acetyl-2,6-dimethyl-4-benzoquinone imine?
You can request a quote for Acetyl-2,6-dimethyl-4-benzoquinone imine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetyl-2,6-dimethyl-4-benzoquinone imine?
Yes, KEHONG BIO provides custom synthesis services for Acetyl-2,6-dimethyl-4-benzoquinone imine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.