Aklavinone
TL;DR: Aklavinone (CAS 19900-47-1) is a chemical compound with molecular formula C22H20O8 and molecular weight 412.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1R,2R,4S)-2-ethyl-2,4,5,7-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
Also Known As: Aklavinone, Aclavinone, Aklavinon, Antibiotic MA 144D1, Cirensenoside H
| Molecular Formula | C22H20O8 |
|---|---|
| Molecular Weight | 412.12 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 412.1158 |
| Heavy Atoms | 30 |
| Complexity | 737.0 |
Chemical Identifiers
| CAS Number | 19900-47-1 |
|---|---|
| SMILES | CC[C@]1(C[C@@H](C2=C(C3=C(C=C2[C@H]1C(=O)OC)C(=O)C4=C(C3=O)C(=CC=C4)O)O)O)O |
| InChIKey | RACGRCLGVYXIAO-YOKWENHESA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Aklavinone (CAS 19900-47-1), with molecular formula C22H20O8 and molecular weight 412.12 g/mol. IUPAC: methyl (1R,2R,4S)-2-ethyl-2,4,5,7-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate.
Chemical Property Profile of Aklavinone
Property Insights of Aklavinone
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aklavinone. The TPSA of 141.0 Ų indicates high polarity, suggesting Aklavinone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Aklavinone 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 Aklavinone?
The CAS number of Aklavinone is 19900-47-1.
What is the molecular formula of Aklavinone?
The molecular formula of Aklavinone is C22H20O8.
What is the molecular weight of Aklavinone?
The molecular weight of Aklavinone is 412.12 g/mol.
Where can I buy Aklavinone?
You can request a quote for Aklavinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aklavinone?
Yes, KEHONG BIO provides custom synthesis services for Aklavinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.