TL;DR: Isf 2715 (CAS 107990-93-2) is a chemical compound with molecular formula C34H52O6 and molecular weight 556.3764 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,6aR,12aS)-10-(3-carboxypropanoyloxy)-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,14,14a,14b-tetradecahydropicene-2-carboxylic acid
Also Known As: Deloxolone sodium, ISF 2715, (2S,6Ar,12aS)-10-(3-carboxypropanoyloxy)-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,14,14a,14b-tetradecahydropicene-2-carboxylic acid, (2S,6aR,12aS)-10-(4-hydroxy-4-oxobutanoyl)oxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,14,14a,14b-tetradecahydropicene-2-carboxylic acid
| Molecular Formula | C34H52O6 |
| Molecular Weight | 556.3764 g/mol |
| XLogP | 7.6 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 556.3764 Da |
| Heavy Atoms | 40 |
| Complexity | 1120.0 |
| SMILES | C[C@@]1(CCC2(CC[C@@]3(C(C2C1)CC=C4C3(CCC5[C@@]4(CCC(C5(C)C)OC(=O)CCC(=O)O)C)C)C)C)C(=O)O |
| InChIKey | VRFVGZRKFFTPCG-OZCBSENFSA-N |
The XLogP value of 7.6 indicates that Isf 2715 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Isf 2715. Following Lipinski's Rule of Five, Isf 2715 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Isf 2715 is 107990-93-2.
The molecular formula of Isf 2715 is C34H52O6.
The molecular weight of Isf 2715 is 556.3764 g/mol.
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