1,5,6,8-Tetrahydroxy-3-methyl-9,10-dioxoanthracene-2-carboxylic acid
TL;DR: 1,5,6,8-Tetrahydroxy-3-methyl-9,10-dioxoanthracene-2-carboxylic acid (CAS 2960-94-3) is a chemical compound with molecular formula C16H10O8 and molecular weight 330.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5,6,8-tetrahydroxy-3-methyl-9,10-dioxoanthracene-2-carboxylic acid
Also Known As: Clavorubin, 1,5,6,8-tetrahydroxy-3-methyl-9,10-dioxoanthracene-2-carboxylic acid, 1,5,6,8-TETRAHYDROXY-3-METHYL-9,10-DIOXO-9,10-DIHYDROANTHRACENE-2-CARBOXYLIC ACID, 1,5,6,8-Tetrahydroxy-3-methylanthraquinone-2-carboxylic acid, 1,5,6,8-TETRAHYDROXY-3-METHYL-9,10-DIOXO-9,10-DIHYDROANTHRACENE-2-CARBOXYLICACID
| Molecular Formula | C16H10O8 |
|---|---|
| Molecular Weight | 330.04 g/mol |
| LogP | 1.29102 |
| Topological Polar Surface Area | 152.36 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 330.03757 |
| Heavy Atoms | 24 |
| Complexity | 971.0183 |
Chemical Identifiers
| CAS Number | 2960-94-3 |
|---|---|
| SMILES | CC1=CC2=C(C(=C1C(=O)O)O)C(=O)C3=C(C2=O)C(=C(C=C3O)O)O |
Product Overview
1,5,6,8-Tetrahydroxy-3-methyl-9,10-dioxoanthracene-2-carboxylic acid (CAS 2960-94-3), with molecular formula C16H10O8 and molecular weight 330.04 g/mol. IUPAC: 1,5,6,8-tetrahydroxy-3-methyl-9,10-dioxoanthracene-2-carboxylic acid.
Chemical Property Profile of 1,5,6,8-Tetrahydroxy-3-methyl-9,10-dioxoanthracene-2-carboxylic acid
Property Insights of 1,5,6,8-Tetrahydroxy-3-methyl-9,10-dioxoanthracene-2-carboxylic acid
The XLogP value of 1.29102 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,5,6,8-Tetrahydroxy-3-methyl-9,10-dioxoanthracene-2-carboxylic acid. The TPSA of 152.36 Ų indicates high polarity, suggesting 1,5,6,8-Tetrahydroxy-3-methyl-9,10-dioxoanthracene-2-carboxylic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,5,6,8-Tetrahydroxy-3-methyl-9,10-dioxoanthracene-2-carboxylic acid has 5 hydrogen bond donor(s) and 7 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 1,5,6,8-Tetrahydroxy-3-methyl-9,10-dioxoanthracene-2-carboxylic acid?
The CAS number of 1,5,6,8-Tetrahydroxy-3-methyl-9,10-dioxoanthracene-2-carboxylic acid is 2960-94-3.
What is the molecular formula of 1,5,6,8-Tetrahydroxy-3-methyl-9,10-dioxoanthracene-2-carboxylic acid?
The molecular formula of 1,5,6,8-Tetrahydroxy-3-methyl-9,10-dioxoanthracene-2-carboxylic acid is C16H10O8.
What is the molecular weight of 1,5,6,8-Tetrahydroxy-3-methyl-9,10-dioxoanthracene-2-carboxylic acid?
The molecular weight of 1,5,6,8-Tetrahydroxy-3-methyl-9,10-dioxoanthracene-2-carboxylic acid is 330.04 g/mol.
Where can I buy 1,5,6,8-Tetrahydroxy-3-methyl-9,10-dioxoanthracene-2-carboxylic acid?
You can request a quote for 1,5,6,8-Tetrahydroxy-3-methyl-9,10-dioxoanthracene-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5,6,8-Tetrahydroxy-3-methyl-9,10-dioxoanthracene-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1,5,6,8-Tetrahydroxy-3-methyl-9,10-dioxoanthracene-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.