TL;DR: Olodanrigan (CAS 1316755-17-5) is a chemical compound with molecular formula C32H29NO5 and molecular weight 507.20456 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S)-2-(2,2-diphenylacetyl)-6-methoxy-5-phenylmethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
Also Known As: Olodanrigan, EMA401, olodanriganum, Olodanrigan [WHO-DD], Olodanrigan (EMA401)
| Molecular Formula | C32H29NO5 |
| Molecular Weight | 507.20456 g/mol |
| XLogP | 5.6 |
| Topological Polar Surface Area (TPSA) | 76.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 507.20456 Da |
| Heavy Atoms | 38 |
| Complexity | 752.0 |
| SMILES | COC1=C(C2=C(CN([C@@H](C2)C(=O)O)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C=C1)OCC5=CC=CC=C5 |
| InChIKey | GHBCIXGRCZIPNQ-MHZLTWQESA-N |
The XLogP value of 5.6 indicates that Olodanrigan is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Olodanrigan. Following Lipinski's Rule of Five, Olodanrigan has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Olodanrigan is 1316755-17-5.
The molecular formula of Olodanrigan is C32H29NO5.
The molecular weight of Olodanrigan is 507.20456 g/mol.
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