2,5-Dimethoxy-2,5-cyclohexadiene-1,4-dione
TL;DR: 2,5-Dimethoxy-2,5-cyclohexadiene-1,4-dione (CAS 3117-03-1) 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.
2,5-dimethoxycyclohexa-2,5-diene-1,4-dione
Also Known As: 2,5-Dimethoxy-1,4-benzoquinone, Thermophillin, disulfiram, Ethyldithiurame, Thermophyllin
| Molecular Formula | C8H8O4 |
|---|---|
| Molecular Weight | 168.04 g/mol |
| LogP | -0.1 |
| 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 |
| Melting Point | 250 °C |
Chemical Identifiers
| CAS Number | 3117-03-1 |
|---|---|
| SMILES | COC1=CC(=O)C(=CC1=O)OC |
| InChIKey | RMMPZDDLWLALLJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5-Dimethoxy-2,5-cyclohexadiene-1,4-dione (CAS 3117-03-1), with molecular formula C8H8O4 and molecular weight 168.04 g/mol. IUPAC: 2,5-dimethoxycyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of 2,5-Dimethoxy-2,5-cyclohexadiene-1,4-dione
Property Insights of 2,5-Dimethoxy-2,5-cyclohexadiene-1,4-dione
The XLogP value of -0.1 indicates that 2,5-Dimethoxy-2,5-cyclohexadiene-1,4-dione 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, 2,5-Dimethoxy-2,5-cyclohexadiene-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Dimethoxy-2,5-cyclohexadiene-1,4-dione 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 2,5-Dimethoxy-2,5-cyclohexadiene-1,4-dione?
The CAS number of 2,5-Dimethoxy-2,5-cyclohexadiene-1,4-dione is 3117-03-1.
What is the molecular formula of 2,5-Dimethoxy-2,5-cyclohexadiene-1,4-dione?
The molecular formula of 2,5-Dimethoxy-2,5-cyclohexadiene-1,4-dione is C8H8O4.
What is the molecular weight of 2,5-Dimethoxy-2,5-cyclohexadiene-1,4-dione?
The molecular weight of 2,5-Dimethoxy-2,5-cyclohexadiene-1,4-dione is 168.04 g/mol.
Where can I buy 2,5-Dimethoxy-2,5-cyclohexadiene-1,4-dione?
You can request a quote for 2,5-Dimethoxy-2,5-cyclohexadiene-1,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Dimethoxy-2,5-cyclohexadiene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dimethoxy-2,5-cyclohexadiene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.