TL;DR: BAS 01289783 (CAS 126054-46-4) is a chemical compound with molecular formula C21H35NO3 and molecular weight 349.2617 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl N-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)carbamate
Also Known As: BAS 01289783, 3-alpha-Hydroxy-17-beta-methoxycarbamoyl-5-alpha-androstane, Methyl ((3-alpha,5-alpha,17-alpha)-3-hydroxyandrostan-17-yl)carbamate, Carbamic acid, ((3-alpha,5-alpha,17-alpha)-3-hydroxyandrostan-17-yl)-, methyl ester, Carbamic acid, ((3-alpha,5-alpha,17-beta)-3-hydroxyandrostan-17-yl)-, methyl ester
| Molecular Formula | C21H35NO3 |
| Molecular Weight | 349.2617 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 349.2617 Da |
| Heavy Atoms | 25 |
| Complexity | 537.0 |
| SMILES | CC12CCC(CC1CCC3C2CCC4(C3CCC4NC(=O)OC)C)O |
| InChIKey | CEZKLEHYJURHTB-UHFFFAOYSA-N |
The XLogP value of 4.6 indicates that BAS 01289783 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.6 Ų, BAS 01289783 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01289783 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of BAS 01289783 is 126054-46-4.
The molecular formula of BAS 01289783 is C21H35NO3.
The molecular weight of BAS 01289783 is 349.2617 g/mol.
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