Quinone methide
TL;DR: Quinone methide (CAS 27890-67-1) is a chemical compound with molecular formula C=C1C=CC(=O)C=C1 and molecular weight 106.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylidenecyclohexa-2,5-dien-1-one
Also Known As: Quinone methide, p-quinomethane, quinomethane, p-Quinonemethide, p-quinone methide
| Molecular Formula | C=C1C=CC(=O)C=C1 |
|---|---|
| Molecular Weight | 106.04 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 106.04186 |
| Heavy Atoms | 8 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 27890-67-1 |
|---|---|
| SMILES | C=C1C=CC(=O)C=C1 |
| InChIKey | OJPNKYLDSDFUPG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Quinone methide (CAS 27890-67-1), with molecular formula C=C1C=CC(=O)C=C1 and molecular weight 106.04 g/mol. IUPAC: 4-methylidenecyclohexa-2,5-dien-1-one.
Chemical Property Profile of Quinone methide
Property Insights of Quinone methide
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Quinone methide. With a topological polar surface area (TPSA) of 17.1 Ų, Quinone methide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Quinone methide has 0 hydrogen bond donor(s) and 1 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 Quinone methide?
The CAS number of Quinone methide is 27890-67-1.
What is the molecular formula of Quinone methide?
The molecular formula of Quinone methide is C=C1C=CC(=O)C=C1.
What is the molecular weight of Quinone methide?
The molecular weight of Quinone methide is 106.04 g/mol.
Where can I buy Quinone methide?
You can request a quote for Quinone methide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quinone methide?
Yes, KEHONG BIO provides custom synthesis services for Quinone methide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.