2-Hydroxyaklavinone
TL;DR: 2-Hydroxyaklavinone (CAS 83471-50-5) is a chemical compound with molecular formula C22H20O9 and molecular weight 428.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1R,2R,4S)-2-ethyl-2,4,5,7,9-pentahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
Also Known As: 2-Hydroxyaklavinone, methyl(1r,2r,4s)-2-ethyl-2,4,5,7,9-pentahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate, methyl (1R,2R,4S)-2-ethyl-2,4,5,7,9-pentahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate, 1-Naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-2,4,5,7,9-pentahydroxy-6,11-dioxo-, methyl ester, (1R-(1alpha,2beta,4beta))-, METHYL (1R,2R,4S)-2-ETHYL-2,4,5,7,9-PENTAHYDROXY-6,11-DIOXO-1,2,3,4,6,11-HEXAHYDROTETRACENE-1-CARBOXYLATE
| Molecular Formula | C22H20O9 |
|---|---|
| Molecular Weight | 428.11 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 162.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 428.11072 |
| Heavy Atoms | 31 |
| Complexity | 768.0 |
Chemical Identifiers
| CAS Number | 83471-50-5 |
|---|---|
| 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)O |
| InChIKey | MGVHSHMUGGHITN-YOKWENHESA-N |
Product Overview
2-Hydroxyaklavinone (CAS 83471-50-5), with molecular formula C22H20O9 and molecular weight 428.11 g/mol. IUPAC: methyl (1R,2R,4S)-2-ethyl-2,4,5,7,9-pentahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate.
Chemical Property Profile of 2-Hydroxyaklavinone
Property Insights of 2-Hydroxyaklavinone
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxyaklavinone. The TPSA of 162.0 Ų indicates high polarity, suggesting 2-Hydroxyaklavinone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Hydroxyaklavinone has 5 hydrogen bond donor(s) and 9 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 2-Hydroxyaklavinone?
The CAS number of 2-Hydroxyaklavinone is 83471-50-5.
What is the molecular formula of 2-Hydroxyaklavinone?
The molecular formula of 2-Hydroxyaklavinone is C22H20O9.
What is the molecular weight of 2-Hydroxyaklavinone?
The molecular weight of 2-Hydroxyaklavinone is 428.11 g/mol.
Where can I buy 2-Hydroxyaklavinone?
You can request a quote for 2-Hydroxyaklavinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hydroxyaklavinone?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxyaklavinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.