2,5-Diethoxycyclohexa-2,5-diene-1,4-dione
TL;DR: 2,5-Diethoxycyclohexa-2,5-diene-1,4-dione (CAS 20855-98-5) is a chemical compound with molecular formula C10H12O4 and molecular weight 196.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-diethoxycyclohexa-2,5-diene-1,4-dione
Also Known As: 2,5-Diethoxybenzo-1,4-quinone, 2,5-diethoxy-1,4-benzoquinone, 2,5-diethoxycyclohexa-2,5-diene-1,4-dione, 2,5-diethoxy-p-benzoquinone, alpha-Methyl-alpha-phenylsuccinimide
| Molecular Formula | C10H12O4 |
|---|---|
| Molecular Weight | 196.07 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 196.07356 |
| Heavy Atoms | 14 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 20855-98-5 |
|---|---|
| SMILES | CCOC1=CC(=O)C(=CC1=O)OCC |
| InChIKey | XMTVIMLHAWZAAB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5-Diethoxycyclohexa-2,5-diene-1,4-dione (CAS 20855-98-5), with molecular formula C10H12O4 and molecular weight 196.07 g/mol. IUPAC: 2,5-diethoxycyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of 2,5-Diethoxycyclohexa-2,5-diene-1,4-dione
Property Insights of 2,5-Diethoxycyclohexa-2,5-diene-1,4-dione
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Diethoxycyclohexa-2,5-diene-1,4-dione. With a topological polar surface area (TPSA) of 52.6 Ų, 2,5-Diethoxycyclohexa-2,5-diene-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Diethoxycyclohexa-2,5-diene-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-Diethoxycyclohexa-2,5-diene-1,4-dione?
The CAS number of 2,5-Diethoxycyclohexa-2,5-diene-1,4-dione is 20855-98-5.
What is the molecular formula of 2,5-Diethoxycyclohexa-2,5-diene-1,4-dione?
The molecular formula of 2,5-Diethoxycyclohexa-2,5-diene-1,4-dione is C10H12O4.
What is the molecular weight of 2,5-Diethoxycyclohexa-2,5-diene-1,4-dione?
The molecular weight of 2,5-Diethoxycyclohexa-2,5-diene-1,4-dione is 196.07 g/mol.
Where can I buy 2,5-Diethoxycyclohexa-2,5-diene-1,4-dione?
You can request a quote for 2,5-Diethoxycyclohexa-2,5-diene-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-Diethoxycyclohexa-2,5-diene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Diethoxycyclohexa-2,5-diene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.