TL;DR: BAS 11403930 (CAS 1005127-35-4) is a chemical compound with molecular formula C17H29NO3S and molecular weight 327.18683 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(3,5-dimethylpiperidin-1-yl)sulfonylmethyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one
Also Known As: BAS 11403930, 1-{[(3,5-dimethylpiperidin-1-yl)sulfonyl]methyl}-7,7-dimethylbicyclo[2.2.1]heptan-2-one, 1-(3,5-Dimethyl-piperidine-1-sulfonylmethyl)-7,7-dimethyl-bicyclo[2.2.1]heptan-2-one, 1-[(3,5-dimethylpiperidin-1-yl)sulfonylmethyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one, 4-[(3,5-dimethylpiperidin-1-yl)sulfonylmethyl]-7,7-dimethylbicyclo[2.2.1]heptan-3-one
| Molecular Formula | C17H29NO3S |
| Molecular Weight | 327.18683 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 62.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 327.18683 Da |
| Heavy Atoms | 22 |
| Complexity | 567.0 |
| SMILES | CC1CC(CN(C1)S(=O)(=O)CC23CCC(C2(C)C)CC3=O)C |
| InChIKey | RZFAQGIEMSXELB-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 11403930. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 11403930. Following Lipinski's Rule of Five, BAS 11403930 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of BAS 11403930 is 1005127-35-4.
The molecular formula of BAS 11403930 is C17H29NO3S.
The molecular weight of BAS 11403930 is 327.18683 g/mol.
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