TL;DR: L 691678 (CAS 144210-49-1) is a chemical compound with molecular formula C36H30IN5O5S and molecular weight 771.10126 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[3-(4-azidophenyl)sulfonyl-1-[(4-iodophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropanoic acid
Also Known As: L 691678, L-691678, 3-((4-Azidophenyl)sulfonyl)-2-((4-iodophenyl)methyl)-alpha,alpha-dimethyl-5-(2-quinolinylmethoxy)-1H-indole-2-propanoic acid, 3-[3-(4-azidophenyl)sulfonyl-1-[(4-iodophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropanoic acid, 3-(3-((4-azidophenyl)sulfonyl)-1-(4-iodobenzyl)-5-(quinolin-2-ylmethoxy)-1H-indol-2-yl)-2,2-dimethylpropanoic acid
| Molecular Formula | C36H30IN5O5S |
| Molecular Weight | 771.10126 g/mol |
| XLogP | 8.5 |
| Topological Polar Surface Area (TPSA) | 121.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 771.10126 Da |
| Heavy Atoms | 48 |
| Complexity | 1260.0 |
| SMILES | CC(C)(CC1=C(C2=C(N1CC3=CC=C(C=C3)I)C=CC(=C2)OCC4=NC5=CC=CC=C5C=C4)S(=O)(=O)C6=CC=C(C=C6)N=[N+]=[N-])C(=O)O |
| InChIKey | YDONNKKRJRSVEQ-UHFFFAOYSA-N |
The XLogP value of 8.5 indicates that L 691678 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for L 691678. Following Lipinski's Rule of Five, L 691678 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of L 691678 is 144210-49-1.
The molecular formula of L 691678 is C36H30IN5O5S.
The molecular weight of L 691678 is 771.10126 g/mol.
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