aplidin
TL;DR: aplidin (CAS 137219-37-5) is a chemical compound with molecular formula C57H87N7O15 and molecular weight 1109.626 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-N-[(2R)-1-[[(3S,6R,8S,12S,13R,16R,17S,23S)-13-[(2S)-butan-2-yl]-12-hydroxy-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3-(2-methylpropyl)-2,5,7,10,15,19,22-heptaoxo-8-propan-2-yl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan-16-yl]amino]-4-methyl-1-oxopentan-2-yl]-N-methyl-1-(2-oxopropanoyl)pyrrolidine-2-carboxamide
Also Known As: aplidin, plitidepsin, Aplidine, Dehydrodidemnin B, Plitidepsin [INN:BAN]
Technical Specifications
| Molecular Formula | C57H87N7O15 |
| Molecular Weight | 1109.626 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 285.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 15 |
| Exact Mass | 1109.626 Da |
| Heavy Atoms | 79 |
| Complexity | 2200.0 |
| SMILES | CC[C@H](C)[C@@H]1[C@H](CC(=O)O[C@H](C(=O)[C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N(C(C(=O)O[C@H]([C@H](C(=O)N1)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H]3CCCN3C(=O)C(=O)C)C)CC4=CC=C(C=C4)OC)C)CC(C)C)C)C(C)C)O |
| InChIKey | UUSZLLQJYRSZIS-GHRWIAHFSA-N |
Chemical Property Profile of aplidin
Property Insights of aplidin
The XLogP value of 5.7 indicates that aplidin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 285.0 Ų indicates high polarity, suggesting aplidin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, aplidin has 4 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of aplidin?
The CAS number of aplidin is 137219-37-5.
What is the molecular formula of aplidin?
The molecular formula of aplidin is C57H87N7O15.
What is the molecular weight of aplidin?
The molecular weight of aplidin is 1109.626 g/mol.
Where can I buy aplidin?
You can request a quote for aplidin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for aplidin?
Yes, CoreyChem provides custom synthesis services for aplidin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.