TL;DR: Ono 8809 (CAS 123288-47-1) is a chemical compound with molecular formula C30H46BrNO4S and molecular weight 595.2331 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
decyl (Z)-6-[(1S,2R,3R,4R)-3-[[(4-bromophenyl)sulfonylamino]methyl]-2-bicyclo[2.2.1]heptanyl]hex-5-enoate
Also Known As: Ono 8809, Decyl (Z)-6-[(1S,2R,3R,4R)-3-[[(4-bromophenyl)sulfonylamino]methyl]-2-bicyclo[2.2.1]heptanyl]hex-5-enoate, n-Decyl (3-(4-bromobenzenesulfonylaminomethyl)bicyclo(2.2.1)hept-2-yl)-5-hexanoate, (Z)-6-[(1S,2S,3S,4R)-3-(4-Bromobenzenesulfonylaminomethyl)bicyclo[2.2.1]hept-2-yl]-5-hexenoic acid n-decyl ester, [1S-(1alpha,2beta(Z),3beta,4alpha)]-6-[3-[[[(4-Bromophenyl)sulfonyl]amino]methyl]bicyclo[2.2.1]hept-2-yl]-5-hexenoic acid decyl ester
| Molecular Formula | C30H46BrNO4S |
| Molecular Weight | 595.2331 g/mol |
| XLogP | 9.2 |
| Topological Polar Surface Area (TPSA) | 80.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 19 |
| Exact Mass | 595.2331 Da |
| Heavy Atoms | 37 |
| Complexity | 788.0 |
| SMILES | CCCCCCCCCCOC(=O)CCC/C=C\[C@H]1[C@H]2CC[C@H](C2)[C@H]1CNS(=O)(=O)C3=CC=C(C=C3)Br |
| InChIKey | KLMMNRLRCVRTDN-WHFHORQSSA-N |
The XLogP value of 9.2 indicates that Ono 8809 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ono 8809. Following Lipinski's Rule of Five, Ono 8809 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Ono 8809 is 123288-47-1.
The molecular formula of Ono 8809 is C30H46BrNO4S.
The molecular weight of Ono 8809 is 595.2331 g/mol.
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