Strophanthidin-3-nicotinate
TL;DR: Strophanthidin-3-nicotinate (CAS 21515-43-5) is a chemical compound with molecular formula C29H35NO7 and molecular weight 509.24136 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(3S,5S,10S,13R,14S,17R)-10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] pyridine-3-carboxylate
Also Known As: Strophanthidin-3-nicotinate, Go 2616, Nicotinic acid, ester with strophanthidin, 4-22-00-00385 (Beilstein Handbook Reference), 5-beta-Card-20(22)-enolide, 19-oxo-3-beta,5,14-trihydroxy-, 3-nicotinate
Technical Specifications
| Molecular Formula | C29H35NO7 |
| Molecular Weight | 509.24136 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 123.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 509.24136 Da |
| Heavy Atoms | 37 |
| Complexity | 1010.0 |
| SMILES | C[C@]12CCC3C([C@]1(CC[C@@H]2C4=CC(=O)OC4)O)CC[C@]5([C@@]3(CC[C@@H](C5)OC(=O)C6=CN=CC=C6)C=O)O |
| InChIKey | KZDOGGYMASNQGM-DLYQOUECSA-N |
Chemical Property Profile of Strophanthidin-3-nicotinate
Property Insights of Strophanthidin-3-nicotinate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Strophanthidin-3-nicotinate. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Strophanthidin-3-nicotinate. Following Lipinski's Rule of Five, Strophanthidin-3-nicotinate has 2 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 Strophanthidin-3-nicotinate?
The CAS number of Strophanthidin-3-nicotinate is 21515-43-5.
What is the molecular formula of Strophanthidin-3-nicotinate?
The molecular formula of Strophanthidin-3-nicotinate is C29H35NO7.
What is the molecular weight of Strophanthidin-3-nicotinate?
The molecular weight of Strophanthidin-3-nicotinate is 509.24136 g/mol.
Where can I buy Strophanthidin-3-nicotinate?
You can request a quote for Strophanthidin-3-nicotinate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Strophanthidin-3-nicotinate?
Yes, CoreyChem provides custom synthesis services for Strophanthidin-3-nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.