TL;DR: N-Acetyl-O-phosphono-Tyr-Glu Dipentylamide (CAS 159439-02-8) is a chemical compound with molecular formula C26H42N3O9P and molecular weight 571.26587 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4S)-4-[[(2S)-2-acetamido-3-(4-phosphonooxyphenyl)propanoyl]amino]-5-(dipentylamino)-5-oxopentanoic acid
Also Known As: N-Acetyl-O-phosphono-Tyr-Glu Dipentylamide, 1a1b, N-Acetyl-O-phosphono-L-tyrosyl-N,N-dipentyl-L-alpha-glutamine, (4S)-4-[[(2S)-2-acetamido-3-(4-phosphonooxyphenyl)propanoyl]amino]-5-(dipentylamino)-5-oxopentanoic acid, N-Acetyl-O-phosphono-L-tyrosyl-N,N-dipentyl-L--glutamine
| Molecular Formula | C26H42N3O9P |
| Molecular Weight | 571.26587 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 183.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 19 |
| Exact Mass | 571.26587 Da |
| Heavy Atoms | 39 |
| Complexity | 817.0 |
| SMILES | CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)OP(=O)(O)O)NC(=O)C |
| InChIKey | LMADZBIAOYLZDD-GOTSBHOMSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Acetyl-O-phosphono-Tyr-Glu Dipentylamide. The TPSA of 183.0 Ų indicates high polarity, suggesting N-Acetyl-O-phosphono-Tyr-Glu Dipentylamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-Acetyl-O-phosphono-Tyr-Glu Dipentylamide has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N-Acetyl-O-phosphono-Tyr-Glu Dipentylamide is 159439-02-8.
The molecular formula of N-Acetyl-O-phosphono-Tyr-Glu Dipentylamide is C26H42N3O9P.
The molecular weight of N-Acetyl-O-phosphono-Tyr-Glu Dipentylamide is 571.26587 g/mol.
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