Monoanhydroaklavinone
TL;DR: Monoanhydroaklavinone (CAS 4551-03-5) is a chemical compound with molecular formula C22H18O7 and molecular weight 394.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-ethyl-4,5,7-trihydroxy-6,11-dioxo-3,4-dihydrotetracene-1-carboxylate
Also Known As: Anhydro-aklavinone, Monoanhydroaklavinone, methyl 2-ethyl-4,5,7-trihydroxy-6,11-dioxo-3,4-dihydrotetracene-1-carboxylate, 1-naphthacenecarboxylic acid,2-ethyl-3,4,6,11-tetrahydro-4,5,7-trihydroxy-6,11-dioxo-, methyl ester, 1-Naphthacenecarboxylic acid, 2-ethyl-3,4,6,11-tetrahydro-4,5,7-trihydroxy-6,11-dioxo-, methyl ester
| Molecular Formula | C22H18O7 |
|---|---|
| Molecular Weight | 394.11 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 394.10526 |
| Heavy Atoms | 29 |
| Complexity | 756.0 |
Chemical Identifiers
| CAS Number | 4551-03-5 |
|---|---|
| SMILES | CCC1=C(C2=CC3=C(C(=C2C(C1)O)O)C(=O)C4=C(C3=O)C=CC=C4O)C(=O)OC |
| InChIKey | CUNGDCZBOVHVRQ-UHFFFAOYSA-N |
Product Overview
Monoanhydroaklavinone (CAS 4551-03-5), with molecular formula C22H18O7 and molecular weight 394.11 g/mol. IUPAC: methyl 2-ethyl-4,5,7-trihydroxy-6,11-dioxo-3,4-dihydrotetracene-1-carboxylate.
Chemical Property Profile of Monoanhydroaklavinone
Property Insights of Monoanhydroaklavinone
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Monoanhydroaklavinone. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Monoanhydroaklavinone. Following Lipinski's Rule of Five, Monoanhydroaklavinone has 3 hydrogen bond donor(s) and 7 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 Monoanhydroaklavinone?
The CAS number of Monoanhydroaklavinone is 4551-03-5.
What is the molecular formula of Monoanhydroaklavinone?
The molecular formula of Monoanhydroaklavinone is C22H18O7.
What is the molecular weight of Monoanhydroaklavinone?
The molecular weight of Monoanhydroaklavinone is 394.11 g/mol.
Where can I buy Monoanhydroaklavinone?
You can request a quote for Monoanhydroaklavinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Monoanhydroaklavinone?
Yes, KEHONG BIO provides custom synthesis services for Monoanhydroaklavinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.