TL;DR: (5-Methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-cyclopropyl-3-[[2a(2)-(2H-tetrazol-5-yl)[1,1a(2)-biphenyl]-4-yl]oxy]-4-quinolinecarboxylate (CAS 153072-63-0) is a chemical compound with molecular formula C31H23N5O6 and molecular weight 561.16486 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-cyclopropyl-3-[4-[2-(2H-tetrazol-5-yl)phenyl]phenoxy]quinoline-4-carboxylate
Also Known As: (5-Methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-cyclopropyl-3-[[2a(2)-(2H-tetrazol-5-yl)[1,1a(2)-biphenyl]-4-yl]oxy]-4-quinolinecarboxylate, (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-cyclopropyl-3-[4-[2-(2H-tetrazol-5-yl)phenyl]phenoxy]quinoline-4-carboxylate, (5-methyl-2-oxo-2H-1,3-dioxol-4-yl)methyl 2-cyclopropyl-3-{[2'-(2H-1,2,3,4-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]oxy}quinoline-4-carboxylate, 2-Cyclopropyl-3-[[2 -(2H-tetrazol-5-yl)[1,1 -biphenyl]-4-yl]oxy]-4-quinolinecarboxylic acid (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl ester
| Molecular Formula | C31H23N5O6 |
| Molecular Weight | 561.16486 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 138.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 561.16486 Da |
| Heavy Atoms | 42 |
| Complexity | 1030.0 |
| SMILES | CC1=C(OC(=O)O1)COC(=O)C2=C(C(=NC3=CC=CC=C32)C4CC4)OC5=CC=C(C=C5)C6=CC=CC=C6C7=NNN=N7 |
| InChIKey | IZQCLVVNYNAYBS-UHFFFAOYSA-N |
The XLogP value of 5.2 indicates that (5-Methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-cyclopropyl-3-[[2a(2)-(2H-tetrazol-5-yl)[1,1a(2)-biphenyl]-4-yl]oxy]-4-quinolinecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-Methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-cyclopropyl-3-[[2a(2)-(2H-tetrazol-5-yl)[1,1a(2)-biphenyl]-4-yl]oxy]-4-quinolinecarboxylate. Following Lipinski's Rule of Five, (5-Methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-cyclopropyl-3-[[2a(2)-(2H-tetrazol-5-yl)[1,1a(2)-biphenyl]-4-yl]oxy]-4-quinolinecarboxylate has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (5-Methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-cyclopropyl-3-[[2a(2)-(2H-tetrazol-5-yl)[1,1a(2)-biphenyl]-4-yl]oxy]-4-quinolinecarboxylate is 153072-63-0.
The molecular formula of (5-Methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-cyclopropyl-3-[[2a(2)-(2H-tetrazol-5-yl)[1,1a(2)-biphenyl]-4-yl]oxy]-4-quinolinecarboxylate is C31H23N5O6.
The molecular weight of (5-Methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-cyclopropyl-3-[[2a(2)-(2H-tetrazol-5-yl)[1,1a(2)-biphenyl]-4-yl]oxy]-4-quinolinecarboxylate is 561.16486 g/mol.
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