TL;DR: N-methyl-N-(2-{4-[1-(1-naphthylsulfonyl)-1H-pyrazol-3-yl]phenoxy}ethyl)-2-pyridinamine (CAS 955976-53-1) is a chemical compound with molecular formula C27H24N4O3S and molecular weight 484.15692 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-methyl-N-[2-[4-(1-naphthalen-1-ylsulfonylpyrazol-3-yl)phenoxy]ethyl]pyridin-2-amine
Also Known As: N-methyl-N-(2-{4-[1-(1-naphthylsulfonyl)-1H-pyrazol-3-yl]phenoxy}ethyl)-2-pyridinamine, 6R-0291, N-methyl-N-[2-[4-(1-naphthalen-1-ylsulfonylpyrazol-3-yl)phenoxy]ethyl]pyridin-2-amine, N-methyl-N-(2-{4-[1-(naphthalene-1-sulfonyl)-1H-pyrazol-3-yl]phenoxy}ethyl)pyridin-2-amine, methyl-[2-[4-[1-(1-naphthylsulfonyl)pyrazol-3-yl]phenoxy]ethyl]-(2-pyridyl)amine
| Molecular Formula | C27H24N4O3S |
| Molecular Weight | 484.15692 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 85.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 484.15692 Da |
| Heavy Atoms | 35 |
| Complexity | 767.0 |
| SMILES | CN(CCOC1=CC=C(C=C1)C2=NN(C=C2)S(=O)(=O)C3=CC=CC4=CC=CC=C43)C5=CC=CC=N5 |
| InChIKey | OOMJVECYVYYBIE-UHFFFAOYSA-N |
The XLogP value of 5.4 indicates that N-methyl-N-(2-{4-[1-(1-naphthylsulfonyl)-1H-pyrazol-3-yl]phenoxy}ethyl)-2-pyridinamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-methyl-N-(2-{4-[1-(1-naphthylsulfonyl)-1H-pyrazol-3-yl]phenoxy}ethyl)-2-pyridinamine. Following Lipinski's Rule of Five, N-methyl-N-(2-{4-[1-(1-naphthylsulfonyl)-1H-pyrazol-3-yl]phenoxy}ethyl)-2-pyridinamine has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N-methyl-N-(2-{4-[1-(1-naphthylsulfonyl)-1H-pyrazol-3-yl]phenoxy}ethyl)-2-pyridinamine is 955976-53-1.
The molecular formula of N-methyl-N-(2-{4-[1-(1-naphthylsulfonyl)-1H-pyrazol-3-yl]phenoxy}ethyl)-2-pyridinamine is C27H24N4O3S.
The molecular weight of N-methyl-N-(2-{4-[1-(1-naphthylsulfonyl)-1H-pyrazol-3-yl]phenoxy}ethyl)-2-pyridinamine is 484.15692 g/mol.
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