TL;DR: 2-[benzyl-[2-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-2-oxoethyl]amino]acetic acid (CAS 166592-21-8) is a chemical compound with molecular formula C29H32N6O3 and molecular weight 512.2536 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[benzyl-[2-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-2-oxoethyl]amino]acetic acid
Also Known As: 2-[benzyl-[2-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-2-oxoethyl]amino]acetic acid, Glycine, N-(2-(butyl((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)amino)-2-oxoethyl)-N-(phenylmethyl)-, {Benzyl[2-(butyl{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}amino)-2-oxoethyl]amino}acetic acid, 2-[benzyl({[butyl({[2'-(1H-1,2,3,4-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]methyl})carbamoyl]methyl})amino]acetic acid, 2-[benzyl-[[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]carbamoyl]methyl]amino]acetic Acid
| Molecular Formula | C29H32N6O3 |
| Molecular Weight | 512.2536 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 13 |
| Exact Mass | 512.2536 Da |
| Heavy Atoms | 38 |
| Complexity | 725.0 |
| SMILES | CCCCN(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)C(=O)CN(CC4=CC=CC=C4)CC(=O)O |
| InChIKey | JBQDMYZGSBABOI-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[benzyl-[2-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-2-oxoethyl]amino]acetic acid. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[benzyl-[2-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-2-oxoethyl]amino]acetic acid. Following Lipinski's Rule of Five, 2-[benzyl-[2-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-2-oxoethyl]amino]acetic acid has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-[benzyl-[2-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-2-oxoethyl]amino]acetic acid is 166592-21-8.
The molecular formula of 2-[benzyl-[2-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-2-oxoethyl]amino]acetic acid is C29H32N6O3.
The molecular weight of 2-[benzyl-[2-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-2-oxoethyl]amino]acetic acid is 512.2536 g/mol.
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