Isopropylideneproscillaridin
TL;DR: Isopropylideneproscillaridin (CAS 21590-25-0) is a chemical compound with molecular formula C33H46O8 and molecular weight 570.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3S,10R,13R,14S,17R)-14-hydroxy-3-[[(4S,7R)-7-hydroxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
Also Known As: Isopropylideneproscillaridin, Isopropyliden-proscillaridin, Proscillaridrin, isopropylidene-, Isopropyliden-proscillaridin [German], Proscillaridine 2',3'-acetonide
| Molecular Formula | C33H46O8 |
|---|---|
| Molecular Weight | 570.32 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 570.3193 |
| Heavy Atoms | 41 |
| Complexity | 1190.0 |
Chemical Identifiers
| CAS Number | 21590-25-0 |
|---|---|
| SMILES | CC1[C@H](C2C([C@H](O1)O[C@H]3CC[C@@]4(C5CC[C@@]6([C@H](CC[C@@]6(C5CCC4=C3)O)C7=COC(=O)C=C7)C)C)OC(O2)(C)C)O |
| InChIKey | DHXYKQBZTQTODL-LJSSCIMDSA-N |
Product Overview
Isopropylideneproscillaridin (CAS 21590-25-0), with molecular formula C33H46O8 and molecular weight 570.32 g/mol. IUPAC: 5-[(3S,10R,13R,14S,17R)-14-hydroxy-3-[[(4S,7R)-7-hydroxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one.
Chemical Property Profile of Isopropylideneproscillaridin
Property Insights of Isopropylideneproscillaridin
The XLogP value of 3.4 indicates that Isopropylideneproscillaridin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Isopropylideneproscillaridin. Following Lipinski's Rule of Five, Isopropylideneproscillaridin has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isopropylideneproscillaridin?
The CAS number of Isopropylideneproscillaridin is 21590-25-0.
What is the molecular formula of Isopropylideneproscillaridin?
The molecular formula of Isopropylideneproscillaridin is C33H46O8.
What is the molecular weight of Isopropylideneproscillaridin?
The molecular weight of Isopropylideneproscillaridin is 570.32 g/mol.
Where can I buy Isopropylideneproscillaridin?
You can request a quote for Isopropylideneproscillaridin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropylideneproscillaridin?
Yes, KEHONG BIO provides custom synthesis services for Isopropylideneproscillaridin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.