TL;DR: N-Formyl-Met-Leu-Phe-o-fluorobenzylamide (CAS 112898-02-9) is a chemical compound with molecular formula C28H37FN4O4S and molecular weight 544.25195 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[1-[(2-fluorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]-2-[(2-formamido-4-methylsulfanylbutanoyl)amino]-4-methylpentanamide
Also Known As: N-Formyl-Met-Leu-Phe-o-fluorobenzylamide, N-[1-[(2-fluorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]-2-[(2-formamido-4-methylsulfanylbutanoyl)amino]-4-methylpentanamide, N-Formylmethionylleucyl-N-[(2-fluorophenyl)methyl]phenylalaninamide
| Molecular Formula | C28H37FN4O4S |
| Molecular Weight | 544.25195 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 142.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 15 |
| Exact Mass | 544.25195 Da |
| Heavy Atoms | 38 |
| Complexity | 750.0 |
| SMILES | CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NCC2=CC=CC=C2F)NC(=O)C(CCSC)NC=O |
| InChIKey | LTOZIPKEOGLEJO-UHFFFAOYSA-N |
The XLogP value of 3.9 indicates that N-Formyl-Met-Leu-Phe-o-fluorobenzylamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.0 Ų indicates high polarity, suggesting N-Formyl-Met-Leu-Phe-o-fluorobenzylamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-Formyl-Met-Leu-Phe-o-fluorobenzylamide has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N-Formyl-Met-Leu-Phe-o-fluorobenzylamide is 112898-02-9.
The molecular formula of N-Formyl-Met-Leu-Phe-o-fluorobenzylamide is C28H37FN4O4S.
The molecular weight of N-Formyl-Met-Leu-Phe-o-fluorobenzylamide is 544.25195 g/mol.
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