TL;DR: BAS 12377596 (CAS 876888-74-3) is a chemical compound with molecular formula C18H28N2O5S and molecular weight 384.1719 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-methoxy-3-methylphenyl)sulfonyl-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide
Also Known As: BAS 12377596, 1-(4-methoxy-3-methylphenyl)sulfonyl-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide, 1-[(4-methoxy-3-methylphenyl)sulfonyl]-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide, 1-(4-METHOXY-3-METHYLBENZENESULFONYL)-N-(1-METHOXYPROPAN-2-YL)PIPERIDINE-4-CARBOXAMIDE
| Molecular Formula | C18H28N2O5S |
| Molecular Weight | 384.1719 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 93.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 384.1719 Da |
| Heavy Atoms | 26 |
| Complexity | 554.0 |
| SMILES | CC1=C(C=CC(=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(C)COC)OC |
| InChIKey | IAJUWAROECXAKK-UHFFFAOYSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12377596. The TPSA of 93.3 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12377596. Following Lipinski's Rule of Five, BAS 12377596 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 BAS 12377596 is 876888-74-3.
The molecular formula of BAS 12377596 is C18H28N2O5S.
The molecular weight of BAS 12377596 is 384.1719 g/mol.
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