TL;DR: Einecs 239-214-6 (CAS 15160-31-3) is a chemical compound with molecular formula C22H23N3O6 and molecular weight 425.1587 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
Boc-Trp-ONp
(4-nitrophenyl) 3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Also Known As: Boc-Trp-ONp, Na-Boc-L-tryptophan 4-nitrophenyl ester, 4-nitrophenyl n-(tert-butoxycarbonyl)tryptophanate, 4-Nitrophenyl N-((tert-butoxy)carbonyl)-L-tryptophanate, 4-Nitrophenyl N-[tert-butoxy(hydroxy)methylidene]tryptophanate
| Molecular Formula | C22H23N3O6 |
| Molecular Weight | 425.1587 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 126.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 425.1587 Da |
| Heavy Atoms | 31 |
| Complexity | 651.0 |
| SMILES | CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | LQGKMKBNHAFRBV-UHFFFAOYSA-N |
The XLogP value of 4.2 indicates that Einecs 239-214-6 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Einecs 239-214-6. Following Lipinski's Rule of Five, Einecs 239-214-6 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Einecs 239-214-6 is 15160-31-3.
The molecular formula of Einecs 239-214-6 is C22H23N3O6.
The molecular weight of Einecs 239-214-6 is 425.1587 g/mol.
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