Sulfurmycinone
TL;DR: Sulfurmycinone (CAS 78173-88-3) is a chemical compound with molecular formula C23H20O9 and molecular weight 440.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1R,2S,4S)-2,4,5,7-tetrahydroxy-6,11-dioxo-2-(2-oxopropyl)-3,4-dihydro-1H-tetracene-1-carboxylate
Also Known As: Sulfurmycinone, methyl (1R,2S,4S)-2,4,5,7-tetrahydroxy-6,11-dioxo-2-(2-oxopropyl)-3,4-dihydro-1H-tetracene-1-carboxylate, 1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-2,4,5,7-tetrahydroxy-6,11-dioxo-2-(2-oxopropyl)-, methyl ester, (1R-(1alpha,2beta,4beta))-, METHYL (1R,2S,4S)-2,4,5,7-TETRAHYDROXY-6,11-DIOXO-2-(2-OXOPROPYL)-1,2,3,4,6,11-HEXAHYDROTETRACENE-1-CARBOXYLATE, RefChem:186711
| Molecular Formula | C23H20O9 |
|---|---|
| Molecular Weight | 440.11 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 440.11072 |
| Heavy Atoms | 32 |
| Complexity | 824.0 |
Chemical Identifiers
| CAS Number | 78173-88-3 |
|---|---|
| SMILES | CC(=O)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 | JHYVCDKCOPULDO-PIFXAOAFSA-N |
Product Overview
Sulfurmycinone (CAS 78173-88-3), with molecular formula C23H20O9 and molecular weight 440.11 g/mol. IUPAC: methyl (1R,2S,4S)-2,4,5,7-tetrahydroxy-6,11-dioxo-2-(2-oxopropyl)-3,4-dihydro-1H-tetracene-1-carboxylate.
Chemical Property Profile of Sulfurmycinone
Property Insights of Sulfurmycinone
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sulfurmycinone. The TPSA of 158.0 Ų indicates high polarity, suggesting Sulfurmycinone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sulfurmycinone has 4 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 Sulfurmycinone?
The CAS number of Sulfurmycinone is 78173-88-3.
What is the molecular formula of Sulfurmycinone?
The molecular formula of Sulfurmycinone is C23H20O9.
What is the molecular weight of Sulfurmycinone?
The molecular weight of Sulfurmycinone is 440.11 g/mol.
Where can I buy Sulfurmycinone?
You can request a quote for Sulfurmycinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sulfurmycinone?
Yes, KEHONG BIO provides custom synthesis services for Sulfurmycinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.