TL;DR: Cka 1303 (CAS 159034-84-1) is a chemical compound with molecular formula C31H35N3O3S and molecular weight 529.2399 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2-hydroxyethyl)-N-[2-[[methyl-[(E)-3-(3,4,5-trimethylphenyl)prop-2-enyl]amino]methyl]phenyl]isoquinoline-5-sulfonamide
Also Known As: Cka 1303, N-(2-hydroxyethyl)-N-[2-[[methyl-[(E)-3-(3,4,5-trimethylphenyl)prop-2-enyl]amino]methyl]phenyl]isoquinoline-5-sulfonamide, 2-(N-(Hydroxyethyl)-N-(5-isoquinolinesulfony)amino)-N-(3,4,5-trimethoxycinnamyl)-N-methylbenzylamine
| Molecular Formula | C31H35N3O3S |
| Molecular Weight | 529.2399 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 82.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 529.2399 Da |
| Heavy Atoms | 38 |
| Complexity | 847.0 |
| SMILES | CC1=CC(=CC(=C1C)C)/C=C/CN(C)CC2=CC=CC=C2N(CCO)S(=O)(=O)C3=CC=CC4=C3C=CN=C4 |
| InChIKey | ZZJCODWWEJQKAQ-CMDGGOBGSA-N |
The XLogP value of 5.2 indicates that Cka 1303 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Cka 1303. Following Lipinski's Rule of Five, Cka 1303 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Cka 1303 is 159034-84-1.
The molecular formula of Cka 1303 is C31H35N3O3S.
The molecular weight of Cka 1303 is 529.2399 g/mol.
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