N-Acetyl-3,5-dimethyl-4-benzoquinone imine
TL;DR: N-Acetyl-3,5-dimethyl-4-benzoquinone imine (CAS 78504-35-5) 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-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)acetamide
Also Known As: 3,5-Dimethyl-napqi, N- acetamide, NA-3,5-Bqi, 3,5-Me2NAPQI, Acetyl-3,5-dimethyl-p-benzoquinoneimine
| Molecular Formula | C10H11NO2 |
|---|---|
| Molecular Weight | 177.08 g/mol |
| LogP | 1.3 |
| 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 | 78504-35-5 |
|---|---|
| SMILES | CC1=CC(=NC(=O)C)C=C(C1=O)C |
| InChIKey | VUPORYDINWWWKZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Acetyl-3,5-dimethyl-4-benzoquinone imine (CAS 78504-35-5), with molecular formula C10H11NO2 and molecular weight 177.08 g/mol. IUPAC: N-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)acetamide.
Chemical Property Profile of N-Acetyl-3,5-dimethyl-4-benzoquinone imine
Property Insights of N-Acetyl-3,5-dimethyl-4-benzoquinone imine
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Acetyl-3,5-dimethyl-4-benzoquinone imine. With a topological polar surface area (TPSA) of 46.5 Ų, N-Acetyl-3,5-dimethyl-4-benzoquinone imine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Acetyl-3,5-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 N-Acetyl-3,5-dimethyl-4-benzoquinone imine?
The CAS number of N-Acetyl-3,5-dimethyl-4-benzoquinone imine is 78504-35-5.
What is the molecular formula of N-Acetyl-3,5-dimethyl-4-benzoquinone imine?
The molecular formula of N-Acetyl-3,5-dimethyl-4-benzoquinone imine is C10H11NO2.
What is the molecular weight of N-Acetyl-3,5-dimethyl-4-benzoquinone imine?
The molecular weight of N-Acetyl-3,5-dimethyl-4-benzoquinone imine is 177.08 g/mol.
Where can I buy N-Acetyl-3,5-dimethyl-4-benzoquinone imine?
You can request a quote for N-Acetyl-3,5-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 N-Acetyl-3,5-dimethyl-4-benzoquinone imine?
Yes, KEHONG BIO provides custom synthesis services for N-Acetyl-3,5-dimethyl-4-benzoquinone imine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.