TL;DR: Furo(2,3-c)pyridin-2(4H)-one, 5,6,7,7a-tetrahydro-6,7a-dimethyl-5-(4-methylphenyl)-, methanesulfonate (CAS 107885-49-4) is a chemical compound with molecular formula C17H23NO5S and molecular weight 353.1297 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6,7a-dimethyl-5-(4-methylphenyl)-5,7-dihydro-4H-furo[2,3-c]pyridin-2-one;methanesulfonic acid
Also Known As: Furo(2,3-c)pyridin-2(4H)-one, 5,6,7,7a-tetrahydro-6,7a-dimethyl-5-(4-methylphenyl)-, methanesulfonate, 1,3-dimethyl-4-(4-methylphenyl)-9-oxa-3-azabicyclo[4.3.0]non-6-en-8-one; Methanesulfonic Acid, 6,7a-dimethyl-5-(4-methylphenyl)-5,7-dihydro-4H-furo[2,3-c]pyridin-2-one; methanesulfonic acid, Methanesulfonic acid--6,7a-dimethyl-5-(4-methylphenyl)-5,6,7,7a-tetrahydrofuro[2,3-c]pyridin-2(4H)-one (1/1)
| Molecular Formula | C17H23NO5S |
| Molecular Weight | 353.1297 g/mol |
| XLogP | 2.11752 |
| Topological Polar Surface Area (TPSA) | 92.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 353.1297 Da |
| Heavy Atoms | 24 |
| Complexity | 502.0 |
| SMILES | CC1=CC=C(C=C1)C2CC3=CC(=O)OC3(CN2C)C.CS(=O)(=O)O |
| InChIKey | JDNBSKNEJPNLCC-UHFFFAOYSA-N |
The XLogP value of 2.11752 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Furo(2,3-c)pyridin-2(4H)-one, 5,6,7,7a-tetrahydro-6,7a-dimethyl-5-(4-methylphenyl)-, methanesulfonate. The TPSA of 92.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Furo(2,3-c)pyridin-2(4H)-one, 5,6,7,7a-tetrahydro-6,7a-dimethyl-5-(4-methylphenyl)-, methanesulfonate. Following Lipinski's Rule of Five, Furo(2,3-c)pyridin-2(4H)-one, 5,6,7,7a-tetrahydro-6,7a-dimethyl-5-(4-methylphenyl)-, methanesulfonate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Furo(2,3-c)pyridin-2(4H)-one, 5,6,7,7a-tetrahydro-6,7a-dimethyl-5-(4-methylphenyl)-, methanesulfonate is 107885-49-4.
The molecular formula of Furo(2,3-c)pyridin-2(4H)-one, 5,6,7,7a-tetrahydro-6,7a-dimethyl-5-(4-methylphenyl)-, methanesulfonate is C17H23NO5S.
The molecular weight of Furo(2,3-c)pyridin-2(4H)-one, 5,6,7,7a-tetrahydro-6,7a-dimethyl-5-(4-methylphenyl)-, methanesulfonate is 353.1297 g/mol.
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