TL;DR: Z-PHE-LYS-2,4,6-TRIMETHYLBENZOYLOXY-METHYLKETONE TFA (CAS 118253-05-7) is a chemical compound with molecular formula C34H42ClN3O6 and molecular weight 623.2762 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(3S)-7-amino-2-oxo-3-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]heptyl] 2,4,6-trimethylbenzoate;hydrochloride
Also Known As: Z-PHE-LYS-2,4,6-TRIMETHYLBENZOYLOXY-METHYLKETONE TFA, [(3S)-7-amino-2-oxo-3-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]heptyl] 2,4,6-trimethylbenzoate;hydrochloride
| Molecular Formula | C34H42ClN3O6 |
| Molecular Weight | 623.2762 g/mol |
| XLogP | 4.91106 |
| Topological Polar Surface Area (TPSA) | 137.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 17 |
| Exact Mass | 623.2762 Da |
| Heavy Atoms | 44 |
| Complexity | 873.0 |
| SMILES | CC1=CC(=C(C(=C1)C)C(=O)OCC(=O)[C@H](CCCCN)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)C.Cl |
| InChIKey | ZYXJKNAIYITNLL-OCPPCWRMSA-N |
The XLogP value of 4.91106 indicates that Z-PHE-LYS-2,4,6-TRIMETHYLBENZOYLOXY-METHYLKETONE TFA is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Z-PHE-LYS-2,4,6-TRIMETHYLBENZOYLOXY-METHYLKETONE TFA. Following Lipinski's Rule of Five, Z-PHE-LYS-2,4,6-TRIMETHYLBENZOYLOXY-METHYLKETONE TFA has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Z-PHE-LYS-2,4,6-TRIMETHYLBENZOYLOXY-METHYLKETONE TFA is 118253-05-7.
The molecular formula of Z-PHE-LYS-2,4,6-TRIMETHYLBENZOYLOXY-METHYLKETONE TFA is C34H42ClN3O6.
The molecular weight of Z-PHE-LYS-2,4,6-TRIMETHYLBENZOYLOXY-METHYLKETONE TFA is 623.2762 g/mol.
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