TL;DR: Echinocystic Acid (CAS 510-30-5) is a chemical compound with molecular formula C30H48O4 and molecular weight 472.35526 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-5,10-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Also Known As: Echinocystic acid, Albizziagenin, Cochalic acid, Echinocystic-acid, Echinocystic acid?
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C30H48O4 |
| Molecular Weight | 472.35526 g/mol |
| XLogP | 6.9 |
| Topological Polar Surface Area (TPSA) | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 472.35526 Da |
| Heavy Atoms | 34 |
| Complexity | 919.0 |
| SMILES | C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@H]([C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)O)C)C)(C)C)O |
| InChIKey | YKOPWPOFWMYZJZ-PRIAQAIDSA-N |
The XLogP value of 6.9 indicates that Echinocystic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Echinocystic Acid. Following Lipinski's Rule of Five, Echinocystic Acid has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Echinocystic Acid is 510-30-5.
The molecular formula of Echinocystic Acid is C30H48O4.
The molecular weight of Echinocystic Acid is 472.35526 g/mol.
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