Aklaviketone
TL;DR: Aklaviketone (CAS 116235-82-6) is a chemical compound with molecular formula C22H18O8 and molecular weight 410.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1R,2R)-2-ethyl-2,5,7-trihydroxy-4,6,11-trioxo-1,3-dihydrotetracene-1-carboxylate
Also Known As: Aklaviketone, methyl (1R,2R)-2-ethyl-2,5,7-trihydroxy-4,6,11-trioxo-1,3-dihydrotetracene-1-carboxylate, methyl (1R,2R)-2-ethyl-2,5,7-trihydroxy-4,6,11-trioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate, N-[2-(2-chloro-3-oxobutyl)sulfanylethyl]acetamide, 1-Naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-4,6,11-trioxo-, methyl ester, (1R-trans)-
| Molecular Formula | C22H18O8 |
|---|---|
| Molecular Weight | 410.10 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 410.10016 |
| Heavy Atoms | 30 |
| Complexity | 777.0 |
Chemical Identifiers
| CAS Number | 116235-82-6 |
|---|---|
| SMILES | CC[C@]1(CC(=O)C2=C(C3=C(C=C2[C@H]1C(=O)OC)C(=O)C4=C(C3=O)C(=CC=C4)O)O)O |
| InChIKey | MHAXMIHGEZOCTQ-HTAPYJJXSA-N |
Product Overview
Aklaviketone (CAS 116235-82-6), with molecular formula C22H18O8 and molecular weight 410.10 g/mol. IUPAC: methyl (1R,2R)-2-ethyl-2,5,7-trihydroxy-4,6,11-trioxo-1,3-dihydrotetracene-1-carboxylate.
Chemical Property Profile of Aklaviketone
Property Insights of Aklaviketone
The XLogP value of 3.2 indicates that Aklaviketone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Aklaviketone. Following Lipinski's Rule of Five, Aklaviketone has 3 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 Aklaviketone?
The CAS number of Aklaviketone is 116235-82-6.
What is the molecular formula of Aklaviketone?
The molecular formula of Aklaviketone is C22H18O8.
What is the molecular weight of Aklaviketone?
The molecular weight of Aklaviketone is 410.10 g/mol.
Where can I buy Aklaviketone?
You can request a quote for Aklaviketone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aklaviketone?
Yes, KEHONG BIO provides custom synthesis services for Aklaviketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.