Auramycinone
TL;DR: Auramycinone (CAS 78173-89-4) is a chemical compound with molecular formula C21H18O8 and molecular weight 398.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1R,2R,4S)-2,4,5,7-tetrahydroxy-2-methyl-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
Also Known As: Auramycinone, methyl (1R,2R,4S)-2,4,5,7-tetrahydroxy-2-methyl-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate, 1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-2,4,5,7-tetrahydroxy-2-methyl-6,11-dioxo-, methyl ester, (1R-(1alpha,2beta,4beta))-, methyl (1R,2R,4S)-2,4,5,7-tetrahydroxy-2-methyl-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate, methyl -2,4,5,7-tetrahydroxy-2-methyl-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
| Molecular Formula | C21H18O8 |
|---|---|
| Molecular Weight | 398.10 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 398.10016 |
| Heavy Atoms | 29 |
| Complexity | 721.0 |
Chemical Identifiers
| CAS Number | 78173-89-4 |
|---|---|
| SMILES | C[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 | WCKNDRCJQZCZLO-LBJGKRIESA-N |
Product Overview
Auramycinone (CAS 78173-89-4), with molecular formula C21H18O8 and molecular weight 398.10 g/mol. IUPAC: methyl (1R,2R,4S)-2,4,5,7-tetrahydroxy-2-methyl-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate.
Chemical Property Profile of Auramycinone
Property Insights of Auramycinone
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Auramycinone. The TPSA of 141.0 Ų indicates high polarity, suggesting Auramycinone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Auramycinone 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 Auramycinone?
The CAS number of Auramycinone is 78173-89-4.
What is the molecular formula of Auramycinone?
The molecular formula of Auramycinone is C21H18O8.
What is the molecular weight of Auramycinone?
The molecular weight of Auramycinone is 398.10 g/mol.
Where can I buy Auramycinone?
You can request a quote for Auramycinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Auramycinone?
Yes, KEHONG BIO provides custom synthesis services for Auramycinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.