Aklanonic acid
TL;DR: Aklanonic acid (CAS 91432-47-2) is a chemical compound with molecular formula C21H16O8 and molecular weight 396.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4,5-dihydroxy-3-(1-hydroxy-3-oxopent-1-enyl)-9,10-dioxoanthracen-2-yl]acetic acid
Also Known As: Aklanonic acid, 2-[4,5-dihydroxy-3-(1-hydroxy-3-oxopent-1-enyl)-9,10-dioxoanthracen-2-yl]acetic acid, 2-Anthraceneaceticacid, 9,10-dihydro-4,5-dihydroxy-3-(1-hydroxy-3-oxo-1-pentenyl)-9,10-dioxo-, [4,5-Dihydroxy-3-(1-hydroxy-3-oxopent-1-en-1-yl)-9,10-dioxo-9,10-dihydroanthracen-2-yl]acetic acid, 9,10-Dihydro-4,5-dihydroxy-3-(1-hydroxy-3-oxo-1-pentenyl)-9,10-dioxo-2-anthraceneacetic acid
| Molecular Formula | C21H16O8 |
|---|---|
| Molecular Weight | 396.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.0845 |
| Heavy Atoms | 29 |
| Complexity | 741.0 |
Chemical Identifiers
| CAS Number | 91432-47-2 |
|---|---|
| SMILES | CCC(=O)C=C(C1=C(C2=C(C=C1CC(=O)O)C(=O)C3=C(C2=O)C(=CC=C3)O)O)O |
| InChIKey | WTCFRKORYWVLAQ-UHFFFAOYSA-N |
Product Overview
Aklanonic acid (CAS 91432-47-2), with molecular formula C21H16O8 and molecular weight 396.08 g/mol. IUPAC: 2-[4,5-dihydroxy-3-(1-hydroxy-3-oxopent-1-enyl)-9,10-dioxoanthracen-2-yl]acetic acid.
Chemical Property Profile of Aklanonic acid
Property Insights of Aklanonic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aklanonic acid. The TPSA of 149.0 Ų indicates high polarity, suggesting Aklanonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Aklanonic acid has 4 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 Aklanonic acid?
The CAS number of Aklanonic acid is 91432-47-2.
What is the molecular formula of Aklanonic acid?
The molecular formula of Aklanonic acid is C21H16O8.
What is the molecular weight of Aklanonic acid?
The molecular weight of Aklanonic acid is 396.08 g/mol.
Where can I buy Aklanonic acid?
You can request a quote for Aklanonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aklanonic acid?
Yes, KEHONG BIO provides custom synthesis services for Aklanonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.