TL;DR: Rapamycin, 32-O-demethyl- (CAS 141392-23-6) is a chemical compound with molecular formula C50H77NO13 and molecular weight 899.5395 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18,19-trihydroxy-12-[(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-30-methoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone
Also Known As: 32-O-Demethylrapamycin, 32-Desmethylrapamycin, Sirolimus Impurity 22, 27-O-Demethylrapamycin, Rapamycin, 32-O-demethyl-
| Molecular Formula | C50H77NO13 |
| Molecular Weight | 899.5395 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 206.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 5 |
| Exact Mass | 899.5395 Da |
| Heavy Atoms | 64 |
| Complexity | 1740.0 |
| SMILES | C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)O)C)C)/C)OC |
| InChIKey | FQQYOXPFBMYCPO-AURGRMCHSA-N |
The XLogP value of 5.5 indicates that Rapamycin, 32-O-demethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 206.0 Ų indicates high polarity, suggesting Rapamycin, 32-O-demethyl- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Rapamycin, 32-O-demethyl- has 4 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Rapamycin, 32-O-demethyl- is 141392-23-6.
The molecular formula of Rapamycin, 32-O-demethyl- is C50H77NO13.
The molecular weight of Rapamycin, 32-O-demethyl- is 899.5395 g/mol.
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