TL;DR: Sirolimus Impurity 10; Rapamycin Impurity 4 (CAS 142382-16-9) 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)-12-[(2R)-1-[(1S,3R,4R)-3,4-dihydroxycyclohexyl]propan-2-yl]-1,18-dihydroxy-19,30-dimethoxy-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: Sirolimus Impurity 10; Rapamycin Impurity 4, Rapamycin, 41-O-demethyl-; (3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,34aS)-3-((R)-1-((1S,3R,4R)-3,4-dihydroxycyclohexyl)propan-2-yl)-9,27-dihydroxy-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-hexadecahydro-3H-23,27-epoxypyrido[2,1-c][1]oxa[4]azacyclohentriacontine-1,5,11,28,29(4H,6H,31H)-pentaone
| 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)O)O)C)/C)O)OC)C)C)/C)OC |
| InChIKey | RGRYVHKBWYXMGM-ZJTPLFFUSA-N |
The XLogP value of 5.5 indicates that Sirolimus Impurity 10; Rapamycin Impurity 4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 206.0 Ų indicates high polarity, suggesting Sirolimus Impurity 10; Rapamycin Impurity 4 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sirolimus Impurity 10; Rapamycin Impurity 4 has 4 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Sirolimus Impurity 10; Rapamycin Impurity 4 is 142382-16-9.
The molecular formula of Sirolimus Impurity 10; Rapamycin Impurity 4 is C50H77NO13.
The molecular weight of Sirolimus Impurity 10; Rapamycin Impurity 4 is 899.5395 g/mol.
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