TL;DR: Androst-4-ene-3-beta,17-alpha-diol, 17-beta-(2-(propylamino)-4-thiazolyl)- (CAS 96618-91-6) is a chemical compound with molecular formula C25H38N2O2S and molecular weight 430.2654 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[2-(propylamino)-1,3-thiazol-4-yl]-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol
Also Known As: 17-beta-(2-(Propylamino)-4-thiazolyl)androst-4-ene-3-beta,17-alpha-diol, ANDROST-4-ENE-3-beta,17-alpha-DIOL, 17-beta-(2-(PROPYLAMINO)-4-THIAZOLYL)-, (3S,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[2-(propylamino)-1,3-thiazol-4-yl]-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol, 17-[2-(Propylimino)-2,3-dihydro-1,3-thiazol-4-yl]androst-4-ene-3,17-diol, 17beta-[2-(Propylimino)-2,3-dihydro-1,3-thiazol-4-yl]androst-4-ene-3beta,17alpha-diol
| Molecular Formula | C25H38N2O2S |
| Molecular Weight | 430.2654 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 93.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 430.2654 Da |
| Heavy Atoms | 30 |
| Complexity | 701.0 |
| SMILES | CCCNC1=NC(=CS1)[C@]2(CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CCC5=C[C@H](CC[C@]45C)O)C)O |
| InChIKey | FJDKSEPYNAZAGK-HIYRCXEDSA-N |
The XLogP value of 5.0 indicates that Androst-4-ene-3-beta,17-alpha-diol, 17-beta-(2-(propylamino)-4-thiazolyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Androst-4-ene-3-beta,17-alpha-diol, 17-beta-(2-(propylamino)-4-thiazolyl)-. Following Lipinski's Rule of Five, Androst-4-ene-3-beta,17-alpha-diol, 17-beta-(2-(propylamino)-4-thiazolyl)- has 3 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 Androst-4-ene-3-beta,17-alpha-diol, 17-beta-(2-(propylamino)-4-thiazolyl)- is 96618-91-6.
The molecular formula of Androst-4-ene-3-beta,17-alpha-diol, 17-beta-(2-(propylamino)-4-thiazolyl)- is C25H38N2O2S.
The molecular weight of Androst-4-ene-3-beta,17-alpha-diol, 17-beta-(2-(propylamino)-4-thiazolyl)- is 430.2654 g/mol.
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