1,4,5,8-Tetrahydroxy-2-methyl-9,10-anthracenedione
TL;DR: 1,4,5,8-Tetrahydroxy-2-methyl-9,10-anthracenedione (CAS 476-43-7) is a chemical compound with molecular formula C15H10O6 and molecular weight 286.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4,5,8-tetrahydroxy-2-methylanthracene-9,10-dione
Also Known As: Cynodontin, Cyanodontin, Mitoxantrone Impurity 6, CYNODONTIN-, 1,4,5,8-tetrahydroxy-2-methylanthracene-9,10-dione
| Molecular Formula | C15H10O6 |
|---|---|
| Molecular Weight | 286.05 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 286.04773 |
| Heavy Atoms | 21 |
| Complexity | 463.0 |
Chemical Identifiers
| CAS Number | 476-43-7 |
|---|---|
| SMILES | CC1=CC(=C2C(=C1O)C(=O)C3=C(C=CC(=C3C2=O)O)O)O |
| InChIKey | NFQXCHAJWVRYND-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4,5,8-Tetrahydroxy-2-methyl-9,10-anthracenedione (CAS 476-43-7), with molecular formula C15H10O6 and molecular weight 286.05 g/mol. IUPAC: 1,4,5,8-tetrahydroxy-2-methylanthracene-9,10-dione.
Chemical Property Profile of 1,4,5,8-Tetrahydroxy-2-methyl-9,10-anthracenedione
Property Insights of 1,4,5,8-Tetrahydroxy-2-methyl-9,10-anthracenedione
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4,5,8-Tetrahydroxy-2-methyl-9,10-anthracenedione. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4,5,8-Tetrahydroxy-2-methyl-9,10-anthracenedione. Following Lipinski's Rule of Five, 1,4,5,8-Tetrahydroxy-2-methyl-9,10-anthracenedione 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
Frequently Asked Questions
What is the CAS number of 1,4,5,8-Tetrahydroxy-2-methyl-9,10-anthracenedione?
The CAS number of 1,4,5,8-Tetrahydroxy-2-methyl-9,10-anthracenedione is 476-43-7.
What is the molecular formula of 1,4,5,8-Tetrahydroxy-2-methyl-9,10-anthracenedione?
The molecular formula of 1,4,5,8-Tetrahydroxy-2-methyl-9,10-anthracenedione is C15H10O6.
What is the molecular weight of 1,4,5,8-Tetrahydroxy-2-methyl-9,10-anthracenedione?
The molecular weight of 1,4,5,8-Tetrahydroxy-2-methyl-9,10-anthracenedione is 286.05 g/mol.
Where can I buy 1,4,5,8-Tetrahydroxy-2-methyl-9,10-anthracenedione?
You can request a quote for 1,4,5,8-Tetrahydroxy-2-methyl-9,10-anthracenedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4,5,8-Tetrahydroxy-2-methyl-9,10-anthracenedione?
Yes, KEHONG BIO provides custom synthesis services for 1,4,5,8-Tetrahydroxy-2-methyl-9,10-anthracenedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.