TL;DR: Fmoc-His(Fmoc)-OPfp (CAS 114616-10-3) is a chemical compound with molecular formula C42H28F5N3O6 and molecular weight 765.1898 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9H-fluoren-9-ylmethyl 4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxo-3-(2,3,4,5,6-pentafluorophenoxy)propyl]imidazole-1-carboxylate
Also Known As: Fmoc-His(Fmoc)-OPfp, 9H-fluoren-9-ylmethyl 4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxo-3-(2,3,4,5,6-pentafluorophenoxy)propyl]imidazole-1-carboxylate, 9H-fluoren-9-ylmethyl 4-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxo-3-(2,3,4,5,6-pentafluorophenoxy)propyl]imidazole-1-carboxylate
| Molecular Formula | C42H28F5N3O6 |
| Molecular Weight | 765.1898 g/mol |
| XLogP | 8.6 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 12 |
| Exact Mass | 765.1898 Da |
| Heavy Atoms | 56 |
| Complexity | 1340.0 |
| SMILES | C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC4=CN(C=N4)C(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57)C(=O)OC8=C(C(=C(C(=C8F)F)F)F)F |
| InChIKey | OYFHYUWRVSHCIH-UHFFFAOYSA-N |
The XLogP value of 8.6 indicates that Fmoc-His(Fmoc)-OPfp is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Fmoc-His(Fmoc)-OPfp. Following Lipinski's Rule of Five, Fmoc-His(Fmoc)-OPfp has 1 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Fmoc-His(Fmoc)-OPfp is 114616-10-3.
The molecular formula of Fmoc-His(Fmoc)-OPfp is C42H28F5N3O6.
The molecular weight of Fmoc-His(Fmoc)-OPfp is 765.1898 g/mol.
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