TL;DR: TIPPpsi (CAS 159992-07-1) is a chemical compound with molecular formula C37H40N4O5 and molecular weight 620.29987 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[[(2S)-2-[[(3S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-3,4-dihydro-1H-isoquinolin-3-yl]methylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
Also Known As: TIPP-psi, TIPPpsi, TIPP[psi], TIPP-, H-Tyr-Tic(CH2NH)-Phe-Phe-OH
| Molecular Formula | C37H40N4O5 |
| Molecular Weight | 620.29987 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 145.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 13 |
| Exact Mass | 620.29987 Da |
| Heavy Atoms | 46 |
| Complexity | 975.0 |
| SMILES | C1[C@H](N(CC2=CC=CC=C21)C(=O)[C@H](CC3=CC=C(C=C3)O)N)CN[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)O |
| InChIKey | RPKMHCAOERKVEC-DYTOPAQESA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for TIPPpsi. The TPSA of 145.0 Ų indicates high polarity, suggesting TIPPpsi may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, TIPPpsi has 5 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of TIPPpsi is 159992-07-1.
The molecular formula of TIPPpsi is C37H40N4O5.
The molecular weight of TIPPpsi is 620.29987 g/mol.
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