TL;DR: Cortisol sulfate (CAS 1253-43-6) is a chemical compound with molecular formula C21H30O8S and molecular weight 442.16614 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] hydrogen sulfate
Also Known As: Cortisol 21-sulfate, Cortisol sulfate, Cortisol-21-sulfate, F(K)S Cpd, SS441 Compound
| Molecular Formula | C21H30O8S |
| Molecular Weight | 442.16614 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 147.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 442.16614 Da |
| Heavy Atoms | 30 |
| Complexity | 904.0 |
| SMILES | C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)COS(=O)(=O)O)O)C)O |
| InChIKey | JOVLCJDINAUYJW-VWUMJDOOSA-N |
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cortisol sulfate. The TPSA of 147.0 Ų indicates high polarity, suggesting Cortisol sulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cortisol sulfate has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Cortisol sulfate is 1253-43-6.
The molecular formula of Cortisol sulfate is C21H30O8S.
The molecular weight of Cortisol sulfate is 442.16614 g/mol.
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