TL;DR: Ono-NT 126 (CAS 130466-54-5) is a chemical compound with molecular formula C20H26BrNO4S and molecular weight 455.0766 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(Z)-6-[(1S,2R,3S,4S)-3-[[(4-bromophenyl)sulfonylamino]methyl]-2-bicyclo[2.2.1]heptanyl]hex-5-enoic acid
Also Known As: Ono-NT 126, Ono-NT-126, 6-(3-((((4-Bromophenyl)sulfonyl)amino)methyl)bicyclo(2.2.1)hept-2-yl)-hex-5-enoic acid, (Z)-6-[(1S,2S,3R,4S)-2-[[(4-bromophenyl)sulfonylamino]methyl]-3-bicyclo[2.2.1]heptanyl]hex-5-enoic acid, (Z)-6-[(1S,2R,3S,4S)-3-[[(4-bromophenyl)sulfonylamino]methyl]-2-bicyclo[2.2.1]heptanyl]hex-5-enoic acid
| Molecular Formula | C20H26BrNO4S |
| Molecular Weight | 455.0766 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 91.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 455.0766 Da |
| Heavy Atoms | 27 |
| Complexity | 637.0 |
| SMILES | C1C[C@H]2C[C@H]1[C@@H]([C@H]2/C=C\CCCC(=O)O)CNS(=O)(=O)C3=CC=C(C=C3)Br |
| InChIKey | QAROALJSMVITBH-PYJGBCDKSA-N |
The XLogP value of 4.4 indicates that Ono-NT 126 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ono-NT 126. Following Lipinski's Rule of Five, Ono-NT 126 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Ono-NT 126 is 130466-54-5.
The molecular formula of Ono-NT 126 is C20H26BrNO4S.
The molecular weight of Ono-NT 126 is 455.0766 g/mol.
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