TL;DR: 3,7-Bis[(3-carboxypropanoyl)oxy]cholan-24-oic acid (CAS 103767-93-7) is a chemical compound with molecular formula C32H48O10 and molecular weight 592.32477 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-bis(3-carboxypropanoyloxy)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Also Known As: KST-1A0596, 3,7-Bis[(3-carboxypropanoyl)oxy]cholan-24-oic acid, (3, A,5, A,7
| Molecular Formula | C32H48O10 |
| Molecular Weight | 592.32477 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 165.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 14 |
| Exact Mass | 592.32477 Da |
| Heavy Atoms | 42 |
| Complexity | 1060.0 |
| SMILES | C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)OC(=O)CCC(=O)O)C)OC(=O)CCC(=O)O)C |
| InChIKey | FMXVGXUWISGGAH-KUYXBAQTSA-N |
The XLogP value of 4.9 indicates that 3,7-Bis[(3-carboxypropanoyl)oxy]cholan-24-oic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 165.0 Ų indicates high polarity, suggesting 3,7-Bis[(3-carboxypropanoyl)oxy]cholan-24-oic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,7-Bis[(3-carboxypropanoyl)oxy]cholan-24-oic acid has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3,7-Bis[(3-carboxypropanoyl)oxy]cholan-24-oic acid is 103767-93-7.
The molecular formula of 3,7-Bis[(3-carboxypropanoyl)oxy]cholan-24-oic acid is C32H48O10.
The molecular weight of 3,7-Bis[(3-carboxypropanoyl)oxy]cholan-24-oic acid is 592.32477 g/mol.
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