TL;DR: Boc-Trp-Met-Phe amide (CAS 104180-24-7) is a chemical compound with molecular formula C30H39N5O5S and molecular weight 581.2672 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl N-[1-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
Also Known As: Boc-Trp-Met-Phe amide, des-Asp3-Gastrin related peptide, tert-butyl N-[1-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate, Boc-Trp-Met-Phe amide,des-Asp3-Gastrin related peptide,, N-(tert-butoxycarbonyl)tryptophylmethionylphenylalaninamide
| Molecular Formula | C30H39N5O5S |
| Molecular Weight | 581.2672 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 181.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 15 |
| Exact Mass | 581.2672 Da |
| Heavy Atoms | 41 |
| Complexity | 891.0 |
| SMILES | CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CCSC)C(=O)NC(CC3=CC=CC=C3)C(=O)N |
| InChIKey | KYRVGMSGNSHJEA-UHFFFAOYSA-N |
The XLogP value of 3.4 indicates that Boc-Trp-Met-Phe amide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 181.0 Ų indicates high polarity, suggesting Boc-Trp-Met-Phe amide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Boc-Trp-Met-Phe amide has 5 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Boc-Trp-Met-Phe amide is 104180-24-7.
The molecular formula of Boc-Trp-Met-Phe amide is C30H39N5O5S.
The molecular weight of Boc-Trp-Met-Phe amide is 581.2672 g/mol.
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