3-Ethyl-2,5-dihydroxy-1,4-benzoquinone
TL;DR: 3-Ethyl-2,5-dihydroxy-1,4-benzoquinone (CAS 13379-21-0) is a chemical compound with molecular formula C8H8O4 and molecular weight 168.04225 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-ethyl-2,5-dihydroxycyclohexa-2,5-diene-1,4-dione
Also Known As: 2,5-dihydroxy-3-ethylbenzoquinone, 3-ethyl-2,5-dihydroxy-1,4-benzoquinone, 3-Ethyl-2,5-dihydroxy-[1,4]benzoquinone, 2,5-dihydroxy-3-ethyl-1,4-benzoquinone, 3-ethyl-2,5-dihydroxybenzo-1,4-quinone
Technical Specifications
| Molecular Formula | C8H8O4 |
| Molecular Weight | 168.04225 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.04225 Da |
| Heavy Atoms | 12 |
| Complexity | 309.0 |
| SMILES | CCC1=C(C(=O)C=C(C1=O)O)O |
| InChIKey | WJSQCAWGGRFZJK-UHFFFAOYSA-N |
Chemical Property Profile of 3-Ethyl-2,5-dihydroxy-1,4-benzoquinone
Property Insights of 3-Ethyl-2,5-dihydroxy-1,4-benzoquinone
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethyl-2,5-dihydroxy-1,4-benzoquinone. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Ethyl-2,5-dihydroxy-1,4-benzoquinone. Following Lipinski's Rule of Five, 3-Ethyl-2,5-dihydroxy-1,4-benzoquinone has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Ethyl-2,5-dihydroxy-1,4-benzoquinone?
The CAS number of 3-Ethyl-2,5-dihydroxy-1,4-benzoquinone is 13379-21-0.
What is the molecular formula of 3-Ethyl-2,5-dihydroxy-1,4-benzoquinone?
The molecular formula of 3-Ethyl-2,5-dihydroxy-1,4-benzoquinone is C8H8O4.
What is the molecular weight of 3-Ethyl-2,5-dihydroxy-1,4-benzoquinone?
The molecular weight of 3-Ethyl-2,5-dihydroxy-1,4-benzoquinone is 168.04225 g/mol.
Where can I buy 3-Ethyl-2,5-dihydroxy-1,4-benzoquinone?
You can request a quote for 3-Ethyl-2,5-dihydroxy-1,4-benzoquinone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Ethyl-2,5-dihydroxy-1,4-benzoquinone?
Yes, CoreyChem provides custom synthesis services for 3-Ethyl-2,5-dihydroxy-1,4-benzoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.