Scillipheoside
TL;DR: Scillipheoside (CAS 21256-71-3) is a chemical compound with molecular formula C30H42O9 and molecular weight 546.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3S,10R,12R,13S,14S,17R)-12,14-dihydroxy-10,13-dimethyl-3-[(2S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
Also Known As: Scillipheoside, Scilliphaosid [German], 3-[(6-Deoxyhexopyranosyl)oxy]-12,14-dihydroxybufa-4,20,22-trienolide, 3-beta-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-12-beta,14-dihydroxybufa-4,20,22-trienolide, (8xi,9xi)-3beta-[(6-Deoxy-alpha-D-glycero-hexopyranosyl)oxy]-12beta,14-dihydroxybufa-4,20,22-trienolide
| Molecular Formula | C30H42O9 |
|---|---|
| Molecular Weight | 546.28 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 546.2829 |
| Heavy Atoms | 39 |
| Complexity | 1100.0 |
Chemical Identifiers
| CAS Number | 21256-71-3 |
|---|---|
| SMILES | CC1[C@H](C(C([C@H](O1)O[C@H]2CC[C@@]3(C4C[C@H]([C@@]5([C@H](CC[C@@]5(C4CCC3=C2)O)C6=COC(=O)C=C6)C)O)C)O)O)O |
| InChIKey | ZBAPFMPUNXTWQQ-ZSBSFZBSSA-N |
Product Overview
Scillipheoside (CAS 21256-71-3), with molecular formula C30H42O9 and molecular weight 546.28 g/mol. IUPAC: 5-[(3S,10R,12R,13S,14S,17R)-12,14-dihydroxy-10,13-dimethyl-3-[(2S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one.
Chemical Property Profile of Scillipheoside
Property Insights of Scillipheoside
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Scillipheoside. The TPSA of 146.0 Ų indicates high polarity, suggesting Scillipheoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Scillipheoside has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Scillipheoside?
The CAS number of Scillipheoside is 21256-71-3.
What is the molecular formula of Scillipheoside?
The molecular formula of Scillipheoside is C30H42O9.
What is the molecular weight of Scillipheoside?
The molecular weight of Scillipheoside is 546.28 g/mol.
Where can I buy Scillipheoside?
You can request a quote for Scillipheoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Scillipheoside?
Yes, KEHONG BIO provides custom synthesis services for Scillipheoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.