4-Methyl-1,2-benzoquinone
TL;DR: 4-Methyl-1,2-benzoquinone (CAS 3131-54-2) is a chemical compound with molecular formula C7H6O2 and molecular weight 122.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylcyclohexa-3,5-diene-1,2-dione
Also Known As: 4-Methyl-o-benzoquinone, 4-Methyl-1,2-benzoquinone, 4-o-Toluquinone, 4-Methyl-ortho-benzoquinone, o-Benzoquinone, 4-methyl-
| Molecular Formula | C7H6O2 |
|---|---|
| Molecular Weight | 122.04 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 122.03678 |
| Heavy Atoms | 9 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 3131-54-2 |
|---|---|
| SMILES | CC1=CC(=O)C(=O)C=C1 |
| InChIKey | GYEMOVUSSDZYLQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methyl-1,2-benzoquinone (CAS 3131-54-2), with molecular formula C7H6O2 and molecular weight 122.04 g/mol. IUPAC: 4-methylcyclohexa-3,5-diene-1,2-dione.
Chemical Property Profile of 4-Methyl-1,2-benzoquinone
Property Insights of 4-Methyl-1,2-benzoquinone
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-1,2-benzoquinone. With a topological polar surface area (TPSA) of 34.1 Ų, 4-Methyl-1,2-benzoquinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-1,2-benzoquinone 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 4-Methyl-1,2-benzoquinone?
The CAS number of 4-Methyl-1,2-benzoquinone is 3131-54-2.
What is the molecular formula of 4-Methyl-1,2-benzoquinone?
The molecular formula of 4-Methyl-1,2-benzoquinone is C7H6O2.
What is the molecular weight of 4-Methyl-1,2-benzoquinone?
The molecular weight of 4-Methyl-1,2-benzoquinone is 122.04 g/mol.
Where can I buy 4-Methyl-1,2-benzoquinone?
You can request a quote for 4-Methyl-1,2-benzoquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-1,2-benzoquinone?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-1,2-benzoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.