2,3,5,8-Tetrahydroxy-6-methyl-1,4-naphthalenedione
TL;DR: 2,3,5,8-Tetrahydroxy-6-methyl-1,4-naphthalenedione (CAS 41768-12-1) is a chemical compound with molecular formula C11H8O6 and molecular weight 236.03209 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5,6,7,8-tetrahydroxy-2-methylnaphthalene-1,4-dione
Also Known As: Methylspinazarin, Methylspinazaline, 2,3,5,8-Tetrahydroxy-6-methyl-1,4-naphthalenedione, 2,3,5,8-Tetrahydroxy-6-methylnaphthalene-1,4-dione, 2,3,5,8-tetrahydroxy-6-methyl-1,4-dihydronaphthalene-1,4-dione
Technical Specifications
| Molecular Formula | C11H8O6 |
| Molecular Weight | 236.03209 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 236.03209 Da |
| Heavy Atoms | 17 |
| Complexity | 401.0 |
| SMILES | CC1=CC(=O)C2=C(C1=O)C(=C(C(=C2O)O)O)O |
| InChIKey | XATMXJYIXBGKBX-UHFFFAOYSA-N |
Chemical Property Profile of 2,3,5,8-Tetrahydroxy-6-methyl-1,4-naphthalenedione
Property Insights of 2,3,5,8-Tetrahydroxy-6-methyl-1,4-naphthalenedione
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,5,8-Tetrahydroxy-6-methyl-1,4-naphthalenedione. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3,5,8-Tetrahydroxy-6-methyl-1,4-naphthalenedione. Following Lipinski's Rule of Five, 2,3,5,8-Tetrahydroxy-6-methyl-1,4-naphthalenedione has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,3,5,8-Tetrahydroxy-6-methyl-1,4-naphthalenedione?
The CAS number of 2,3,5,8-Tetrahydroxy-6-methyl-1,4-naphthalenedione is 41768-12-1.
What is the molecular formula of 2,3,5,8-Tetrahydroxy-6-methyl-1,4-naphthalenedione?
The molecular formula of 2,3,5,8-Tetrahydroxy-6-methyl-1,4-naphthalenedione is C11H8O6.
What is the molecular weight of 2,3,5,8-Tetrahydroxy-6-methyl-1,4-naphthalenedione?
The molecular weight of 2,3,5,8-Tetrahydroxy-6-methyl-1,4-naphthalenedione is 236.03209 g/mol.
Where can I buy 2,3,5,8-Tetrahydroxy-6-methyl-1,4-naphthalenedione?
You can request a quote for 2,3,5,8-Tetrahydroxy-6-methyl-1,4-naphthalenedione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,3,5,8-Tetrahydroxy-6-methyl-1,4-naphthalenedione?
Yes, CoreyChem provides custom synthesis services for 2,3,5,8-Tetrahydroxy-6-methyl-1,4-naphthalenedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.