Isocapsicastrine
TL;DR: Isocapsicastrine (CAS 123164-25-0) is a chemical compound with molecular formula C33H55NO7 and molecular weight 577.3978 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3R,4S,5S,6R)-2-[[(8S,9S,10R,13S,14S,17R)-16-hydroxy-10,13-dimethyl-17-[(1S)-1-(5-methylpiperidin-2-yl)ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: Isocapsicastrine, 22,26-Epiminocholest-5-ene-3,16-diol 3-O-glucopyranoside, (3R,4S,5S,6R)-2-[[(8S,9S,10R,13S,14S,17R)-16-hydroxy-10,13-dimethyl-17-[(1S)-1-(5-methylpiperidin-2-yl)ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol, (3R,4S,5S,6R)-2-(((8S,9S,10R,13S,14S,17R)-16-hydroxy-10,13-dimethyl-17-((1S)-1-(5-methylpiperidin-2-yl)ethyl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthren-3-yl)oxy)-6-(hydroxymethyl)oxane-3,4,5-triol
Technical Specifications
| Molecular Formula | C33H55NO7 |
| Molecular Weight | 577.3978 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 132.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 577.3978 Da |
| Heavy Atoms | 41 |
| Complexity | 977.0 |
| SMILES | CC1CCC(NC1)[C@@H](C)[C@H]2C(C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CCC(C5)OC6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)O |
| InChIKey | LXITVHCOOLDNBB-ATEWJWJNSA-N |
Chemical Property Profile of Isocapsicastrine
Property Insights of Isocapsicastrine
The XLogP value of 3.6 indicates that Isocapsicastrine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Isocapsicastrine. Following Lipinski's Rule of Five, Isocapsicastrine has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Isocapsicastrine?
The CAS number of Isocapsicastrine is 123164-25-0.
What is the molecular formula of Isocapsicastrine?
The molecular formula of Isocapsicastrine is C33H55NO7.
What is the molecular weight of Isocapsicastrine?
The molecular weight of Isocapsicastrine is 577.3978 g/mol.
Where can I buy Isocapsicastrine?
You can request a quote for Isocapsicastrine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isocapsicastrine?
Yes, CoreyChem provides custom synthesis services for Isocapsicastrine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.