TL;DR: Arl 15849XX (CAS 152548-39-5) is a chemical compound with molecular formula C47H60N8O13S and molecular weight 976.4001 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S)-4-[[(2S)-1-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[2-[[(2S)-2-[[2-(4-sulfooxyphenyl)acetyl]amino]hexanoyl]amino]acetyl]amino]propanoyl]amino]hexanoyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(methylamino)-4-oxobutanoic acid
Also Known As: ARL 15849XX, ARL-15849XX, FPL 15849, AR-R 15849, (3S)-4-[[(2S)-1-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[2-[[(2S)-2-[[2-(4-sulfooxyphenyl)acetyl]amino]hexanoyl]amino]acetyl]amino]propanoyl]amino]hexanoyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(methylamino)-4-oxobutanoic acid
| Molecular Formula | C47H60N8O13S |
| Molecular Weight | 976.4001 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 329.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 28 |
| Exact Mass | 976.4001 Da |
| Heavy Atoms | 69 |
| Complexity | 1840.0 |
| SMILES | CCCC[C@@H](C(=O)NCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCCC)C(=O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)O)NC)NC(=O)CC4=CC=C(C=C4)OS(=O)(=O)O |
| InChIKey | VMDKRSNUUUUARH-MQDBWYGVSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Arl 15849XX. The TPSA of 329.0 Ų indicates high polarity, suggesting Arl 15849XX may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Arl 15849XX has 10 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Arl 15849XX is 152548-39-5.
The molecular formula of Arl 15849XX is C47H60N8O13S.
The molecular weight of Arl 15849XX is 976.4001 g/mol.
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