TL;DR: Azuprostat (CAS 84249-61-6) is a chemical compound with molecular formula C29H50O and molecular weight 414.38617 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S,8S,9S,10R,13R,14S,17R)-17-[(2S,5S)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Also Known As: Azuprostat, KST-1A8515, (3, A,20s,24s)-stigmast-5-en-3-ol, (3S,8S,9S,10R,13R,14S,17R)-17-[(2S,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
| Molecular Formula | C29H50O |
| Molecular Weight | 414.38617 g/mol |
| XLogP | 9.3 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.38617 Da |
| Heavy Atoms | 30 |
| Complexity | 634.0 |
| SMILES | CC[C@@H](CC[C@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C |
| InChIKey | KZJWDPNRJALLNS-LTPXOBQUSA-N |
The XLogP value of 9.3 indicates that Azuprostat is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, Azuprostat exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Azuprostat has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Azuprostat is 84249-61-6.
The molecular formula of Azuprostat is C29H50O.
The molecular weight of Azuprostat is 414.38617 g/mol.
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