TL;DR: Fmoc-4-[2-(Boc-amino)ethoxy]-DL-phenylalanine (CAS 1013883-02-7) is a chemical compound with molecular formula C31H34N2O7 and molecular weight 546.2366 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl]propanoic acid
Also Known As: Fmoc-4-[2-(Boc-amino)ethoxy]-L-phenylalanine, Fmoc-4-(2-(Boc-amino)ethoxy)-L-phenylalanine, Fmoc-4-[2-(Boc-amino)ethoxy]-DL-phenylalanine, (2S)-3-[4-(2-{[(tert-butoxy)carbonyl]amino}ethoxy)phenyl]-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid, 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl]propanoic acid
| Molecular Formula | C31H34N2O7 |
| Molecular Weight | 546.2366 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 123.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 13 |
| Exact Mass | 546.2366 Da |
| Heavy Atoms | 40 |
| Complexity | 829.0 |
| SMILES | CC(C)(C)OC(=O)NCCOC1=CC=C(C=C1)CC(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24 |
| InChIKey | BQFZEDGXSYOUAW-UHFFFAOYSA-N |
The XLogP value of 5.3 indicates that Fmoc-4-[2-(Boc-amino)ethoxy]-DL-phenylalanine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Fmoc-4-[2-(Boc-amino)ethoxy]-DL-phenylalanine. Following Lipinski's Rule of Five, Fmoc-4-[2-(Boc-amino)ethoxy]-DL-phenylalanine has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Fmoc-4-[2-(Boc-amino)ethoxy]-DL-phenylalanine is 1013883-02-7.
The molecular formula of Fmoc-4-[2-(Boc-amino)ethoxy]-DL-phenylalanine is C31H34N2O7.
The molecular weight of Fmoc-4-[2-(Boc-amino)ethoxy]-DL-phenylalanine is 546.2366 g/mol.
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