p-Benzoquinone imine
TL;DR: p-Benzoquinone imine (CAS 3009-34-5) is a chemical compound with molecular formula C6H5NO and molecular weight 107.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-iminocyclohexa-2,5-dien-1-one
Also Known As: p-Benzoquinone imine, p-Benzoquinonimine, p-Quinonimine, PBQI, 1,4-Benzoquinoneimine
| Molecular Formula | C6H5NO |
|---|---|
| Molecular Weight | 107.04 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 40.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 107.03712 |
| Heavy Atoms | 8 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 3009-34-5 |
|---|---|
| SMILES | C1=CC(=O)C=CC1=N |
| InChIKey | WELKBINNNXKQQS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-Benzoquinone imine (CAS 3009-34-5), with molecular formula C6H5NO and molecular weight 107.04 g/mol. IUPAC: 4-iminocyclohexa-2,5-dien-1-one.
Chemical Property Profile of p-Benzoquinone imine
Property Insights of p-Benzoquinone imine
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-Benzoquinone imine. With a topological polar surface area (TPSA) of 40.9 Ų, p-Benzoquinone imine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Benzoquinone imine has 1 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 p-Benzoquinone imine?
The CAS number of p-Benzoquinone imine is 3009-34-5.
What is the molecular formula of p-Benzoquinone imine?
The molecular formula of p-Benzoquinone imine is C6H5NO.
What is the molecular weight of p-Benzoquinone imine?
The molecular weight of p-Benzoquinone imine is 107.04 g/mol.
Where can I buy p-Benzoquinone imine?
You can request a quote for p-Benzoquinone imine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Benzoquinone imine?
Yes, KEHONG BIO provides custom synthesis services for p-Benzoquinone imine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.