Desacetylscillirosidin
TL;DR: Desacetylscillirosidin (CAS 7004-95-7) is a chemical compound with molecular formula C24H32O6 and molecular weight 416.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3S,6R,8S,9R,10R,13R,14R,17R)-3,6,8,14-tetrahydroxy-10,13-dimethyl-2,3,6,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one
Also Known As: Desacetylscillirosidin, KST-1A8811, 3beta,6beta,8,14-Tetrahydroxybufa-4,20,22-trienolide, 3,6,8,14-Tetrahydroxybufa-4,20,22-trienolide, 4-18-00-03177 (Beilstein Handbook Reference)
| Molecular Formula | C24H32O6 |
|---|---|
| Molecular Weight | 416.22 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 416.21988 |
| Heavy Atoms | 30 |
| Complexity | 875.0 |
Chemical Identifiers
| CAS Number | 7004-95-7 |
|---|---|
| SMILES | C[C@]12CC[C@@H]3[C@]4(CC[C@@H](C=C4[C@@H](C[C@]3([C@]1(CC[C@@H]2C5=COC(=O)C=C5)O)O)O)O)C |
| InChIKey | CAOKMXJYIBQRBR-ZOZWTODISA-N |
Product Overview
Desacetylscillirosidin (CAS 7004-95-7), with molecular formula C24H32O6 and molecular weight 416.22 g/mol. IUPAC: 5-[(3S,6R,8S,9R,10R,13R,14R,17R)-3,6,8,14-tetrahydroxy-10,13-dimethyl-2,3,6,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one.
Chemical Property Profile of Desacetylscillirosidin
Property Insights of Desacetylscillirosidin
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Desacetylscillirosidin. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Desacetylscillirosidin. Following Lipinski's Rule of Five, Desacetylscillirosidin has 4 hydrogen bond donor(s) and 6 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 Desacetylscillirosidin?
The CAS number of Desacetylscillirosidin is 7004-95-7.
What is the molecular formula of Desacetylscillirosidin?
The molecular formula of Desacetylscillirosidin is C24H32O6.
What is the molecular weight of Desacetylscillirosidin?
The molecular weight of Desacetylscillirosidin is 416.22 g/mol.
Where can I buy Desacetylscillirosidin?
You can request a quote for Desacetylscillirosidin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Desacetylscillirosidin?
Yes, KEHONG BIO provides custom synthesis services for Desacetylscillirosidin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.