TL;DR: Testiphenon (CAS 104730-58-7) is a chemical compound with molecular formula C31H43Cl2NO3 and molecular weight 547.262 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate
Also Known As: Testiphenon, Testiphenone, Acetic acid (S)-1-cyano-2-o-tolyloxy-ethyl ester, (5-alpha,17-beta)-17-(((4-(Bis(2-chloroethyl)amino)phenyl)acetyl)oxy)androstan-3-one, (5alpha,17beta)-17-(((4-(Bis(2-chloroethyl)amino)phenyl)acetyl)oxy)androstan-3-one
| Molecular Formula | C31H43Cl2NO3 |
| Molecular Weight | 547.262 g/mol |
| XLogP | 7.1 |
| Topological Polar Surface Area (TPSA) | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 547.262 Da |
| Heavy Atoms | 37 |
| Complexity | 823.0 |
| SMILES | C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4OC(=O)CC5=CC=C(C=C5)N(CCCl)CCCl)C |
| InChIKey | JWLXQUMDRGJLMS-SJQIPMMSSA-N |
The XLogP value of 7.1 indicates that Testiphenon is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.6 Ų, Testiphenon exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Testiphenon has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Testiphenon is 104730-58-7.
The molecular formula of Testiphenon is C31H43Cl2NO3.
The molecular weight of Testiphenon is 547.262 g/mol.
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