4,5-Dimethoxy-o-benzoquinone
TL;DR: 4,5-Dimethoxy-o-benzoquinone (CAS 21086-65-7) is a chemical compound with molecular formula C8H8O4 and molecular weight 168.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dimethoxycyclohexa-3,5-diene-1,2-dione
Also Known As: 4,5-Dimethoxy-1,2-benzoquinone, 4,5-Dimethoxy-o-benzoquinone, 4,5-Dioxoveratrol, 4,5-dimethoxycyclohexa-3,5-diene-1,2-dione, 3,2-dione, 4,5-dimethoxy-
| Molecular Formula | C8H8O4 |
|---|---|
| Molecular Weight | 168.04 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.04225 |
| Heavy Atoms | 12 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 21086-65-7 |
|---|---|
| SMILES | COC1=CC(=O)C(=O)C=C1OC |
| InChIKey | DCNHYWSNHGOKHN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,5-Dimethoxy-o-benzoquinone (CAS 21086-65-7), with molecular formula C8H8O4 and molecular weight 168.04 g/mol. IUPAC: 4,5-dimethoxycyclohexa-3,5-diene-1,2-dione.
Chemical Property Profile of 4,5-Dimethoxy-o-benzoquinone
Property Insights of 4,5-Dimethoxy-o-benzoquinone
The XLogP value of -0.3 indicates that 4,5-Dimethoxy-o-benzoquinone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.6 Ų, 4,5-Dimethoxy-o-benzoquinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-Dimethoxy-o-benzoquinone has 0 hydrogen bond donor(s) and 4 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 4,5-Dimethoxy-o-benzoquinone?
The CAS number of 4,5-Dimethoxy-o-benzoquinone is 21086-65-7.
What is the molecular formula of 4,5-Dimethoxy-o-benzoquinone?
The molecular formula of 4,5-Dimethoxy-o-benzoquinone is C8H8O4.
What is the molecular weight of 4,5-Dimethoxy-o-benzoquinone?
The molecular weight of 4,5-Dimethoxy-o-benzoquinone is 168.04 g/mol.
Where can I buy 4,5-Dimethoxy-o-benzoquinone?
You can request a quote for 4,5-Dimethoxy-o-benzoquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dimethoxy-o-benzoquinone?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dimethoxy-o-benzoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.