TL;DR: Tyrosyl-arginyl-glycyl-phenylalanine ethyl ester (CAS 117062-52-9) is a chemical compound with molecular formula C28H39N7O6 and molecular weight 569.2962 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl (2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-3-phenylpropanoate
Also Known As: Tyr-arg-gly-phe-oet, Tyrosyl-arginyl-glycyl-phenylalanine ethyl ester, N-(N-(N2-L-tyrosyl-D-arginyl)glycyl)-L-phenylalanine ethyl ester, A967079 /A-967079, L-Phenylalanine, N-(N-(N2-L-tyrosyl-D-arginyl)glycyl)-, ethyl ester
| Molecular Formula | C28H39N7O6 |
| Molecular Weight | 569.2962 g/mol |
| XLogP | -0.3 |
| Topological Polar Surface Area (TPSA) | 224.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 17 |
| Exact Mass | 569.2962 Da |
| Heavy Atoms | 41 |
| Complexity | 868.0 |
| SMILES | CCOC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)N |
| InChIKey | DOLAHRVYTBNXSN-ZRBLBEILSA-N |
The XLogP value of -0.3 indicates that Tyrosyl-arginyl-glycyl-phenylalanine ethyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 224.0 Ų indicates high polarity, suggesting Tyrosyl-arginyl-glycyl-phenylalanine ethyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tyrosyl-arginyl-glycyl-phenylalanine ethyl ester has 7 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Tyrosyl-arginyl-glycyl-phenylalanine ethyl ester is 117062-52-9.
The molecular formula of Tyrosyl-arginyl-glycyl-phenylalanine ethyl ester is C28H39N7O6.
The molecular weight of Tyrosyl-arginyl-glycyl-phenylalanine ethyl ester is 569.2962 g/mol.
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