TL;DR: Travoprost Impurity 30 (CAS 152521-02-3) is a chemical compound with molecular formula C21H20O5 and molecular weight 352.13107 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(3aR,4R,5R,6aS)-4-(hydroxymethyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] 4-phenylbenzoate
Also Known As: Travoprost Impurity 30, Travoprost Impurity 29, Travoprost Impurity 50, (3AR,4R,5R,6aS)-4-(hydroxymethyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl [1,1'-biphenyl]-4-carboxylate, [(3aR,4R,5R,6aS)-4-(hydroxymethyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] 4-phenylbenzoate
| Molecular Formula | C21H20O5 |
| Molecular Weight | 352.13107 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 352.13107 Da |
| Heavy Atoms | 26 |
| Complexity | 518.0 |
| SMILES | C1[C@H]2[C@H](CC(=O)O2)[C@@H]([C@@H]1OC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)CO |
| InChIKey | SZJVIFMPKWMGSX-YDZRNGNQSA-N |
The XLogP value of 3.1 indicates that Travoprost Impurity 30 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Travoprost Impurity 30. Following Lipinski's Rule of Five, Travoprost Impurity 30 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Travoprost Impurity 30 is 152521-02-3.
The molecular formula of Travoprost Impurity 30 is C21H20O5.
The molecular weight of Travoprost Impurity 30 is 352.13107 g/mol.
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