TL;DR: A-Nor-3-oxaestra-1,5(10),9(11)-trien-17-one, 2-methyl-, (8alpha)- (CAS 131142-74-0) is a chemical compound with molecular formula C17H20O2 and molecular weight 256.14633 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5aS,8aS,8bR)-2,5a-dimethyl-7,8,8a,8b,9,10-hexahydro-5H-indeno[5,4-e][1]benzofuran-6-one
Also Known As: 3-Oxa-A-norsteroid, (5aS,8aS,8bR)-2,5a-dimethyl-7,8,8a,8b,9,10-hexahydro-5H-indeno[5,4-e][1]benzofuran-6-one, A-Nor-3-oxaestra-1,5(10),9(11)-trien-17-one, 2-methyl-, (8alpha)-, (5aS,8aS,8bR)-2,5a-Dimethyl-5,5a,7,8,8a,8b,9,10-octahydro-6H-cyclopenta[5,6]naphtho[2,1-b]furan-6-one, 2,5a-Dimethyl-5,5a,7,8,8a,8b,9,10-octahydro-6H-cyclopenta[5,6]naphtho[2,1-b]furan-6-one
| Molecular Formula | C17H20O2 |
| Molecular Weight | 256.14633 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 30.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 256.14633 Da |
| Heavy Atoms | 19 |
| Complexity | 452.0 |
| SMILES | CC1=CC2=C(O1)CC[C@H]3C2=CC[C@]4([C@H]3CCC4=O)C |
| InChIKey | JITQHIVLOIAYRM-JDFRZJQESA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A-Nor-3-oxaestra-1,5(10),9(11)-trien-17-one, 2-methyl-, (8alpha)-. With a topological polar surface area (TPSA) of 30.2 Ų, A-Nor-3-oxaestra-1,5(10),9(11)-trien-17-one, 2-methyl-, (8alpha)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A-Nor-3-oxaestra-1,5(10),9(11)-trien-17-one, 2-methyl-, (8alpha)- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of A-Nor-3-oxaestra-1,5(10),9(11)-trien-17-one, 2-methyl-, (8alpha)- is 131142-74-0.
The molecular formula of A-Nor-3-oxaestra-1,5(10),9(11)-trien-17-one, 2-methyl-, (8alpha)- is C17H20O2.
The molecular weight of A-Nor-3-oxaestra-1,5(10),9(11)-trien-17-one, 2-methyl-, (8alpha)- is 256.14633 g/mol.
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