2-Methoxy-1,4-benzoquinone
TL;DR: 2-Methoxy-1,4-benzoquinone (CAS 2880-58-2) is a chemical compound with molecular formula C7H6O3 and molecular weight 138.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxycyclohexa-2,5-diene-1,4-dione
Also Known As: Methoxybenzoquinone, 2-methoxycyclohexa-2,5-diene-1,4-dione, p-Xyloquinone, 2-Methoxy-p-benzoquinone, 2-Methoxy-1,4-benzoquinone
| Molecular Formula | C7H6O3 |
|---|---|
| Molecular Weight | 138.03 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 138.0317 |
| Heavy Atoms | 10 |
| Complexity | 235.0 |
| Melting Point | 145 °C |
Chemical Identifiers
| CAS Number | 2880-58-2 |
|---|---|
| SMILES | COC1=CC(=O)C=CC1=O |
| InChIKey | ZJKWJHONFFKJHG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methoxy-1,4-benzoquinone (CAS 2880-58-2), with molecular formula C7H6O3 and molecular weight 138.03 g/mol. IUPAC: 2-methoxycyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of 2-Methoxy-1,4-benzoquinone
Property Insights of 2-Methoxy-1,4-benzoquinone
The XLogP value of -0.1 indicates that 2-Methoxy-1,4-benzoquinone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 43.4 Ų, 2-Methoxy-1,4-benzoquinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methoxy-1,4-benzoquinone has 0 hydrogen bond donor(s) and 3 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 2-Methoxy-1,4-benzoquinone?
The CAS number of 2-Methoxy-1,4-benzoquinone is 2880-58-2.
What is the molecular formula of 2-Methoxy-1,4-benzoquinone?
The molecular formula of 2-Methoxy-1,4-benzoquinone is C7H6O3.
What is the molecular weight of 2-Methoxy-1,4-benzoquinone?
The molecular weight of 2-Methoxy-1,4-benzoquinone is 138.03 g/mol.
Where can I buy 2-Methoxy-1,4-benzoquinone?
You can request a quote for 2-Methoxy-1,4-benzoquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methoxy-1,4-benzoquinone?
Yes, KEHONG BIO provides custom synthesis services for 2-Methoxy-1,4-benzoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.