Kermessaure
TL;DR: Kermessaure (CAS 476-35-7) is a chemical compound with molecular formula C18H12O9 and molecular weight 372.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-acetyl-2,5,7,8-tetrahydroxy-4-methyl-9,10-dioxoanthracene-1-carboxylic acid
Also Known As: Kermessaure, crimson, CARDINAL RED, 6-acetyl-2,5,7,8-tetrahydroxy-4-methyl-9,10-dioxo-9,10-dihydroanthracene-1-carboxylic acid, 6-acetyl-2,5,7,8-tetrahydroxy-4-methyl-9,10-dioxo-anthracene-1-carboxylic Acid
| Molecular Formula | C18H12O9 |
|---|---|
| Molecular Weight | 372.05 g/mol |
| LogP | 1.49362 |
| Topological Polar Surface Area | 169.43 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 372.04813 |
| Heavy Atoms | 27 |
| Complexity | 1109.0361 |
Chemical Identifiers
| CAS Number | 476-35-7 |
|---|---|
| SMILES | CC1=CC(=C(C2=C1C(=O)C3=C(C2=O)C(=C(C(=C3O)C(=O)C)O)O)C(=O)O)O |
Product Overview
Kermessaure (CAS 476-35-7), with molecular formula C18H12O9 and molecular weight 372.05 g/mol. IUPAC: 6-acetyl-2,5,7,8-tetrahydroxy-4-methyl-9,10-dioxoanthracene-1-carboxylic acid.
Chemical Property Profile of Kermessaure
Property Insights of Kermessaure
The XLogP value of 1.49362 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Kermessaure. The TPSA of 169.43 Ų indicates high polarity, suggesting Kermessaure may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Kermessaure has 5 hydrogen bond donor(s) and 8 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 Kermessaure?
The CAS number of Kermessaure is 476-35-7.
What is the molecular formula of Kermessaure?
The molecular formula of Kermessaure is C18H12O9.
What is the molecular weight of Kermessaure?
The molecular weight of Kermessaure is 372.05 g/mol.
Where can I buy Kermessaure?
You can request a quote for Kermessaure directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Kermessaure?
Yes, KEHONG BIO provides custom synthesis services for Kermessaure and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.