TL;DR: [5-(3,4,5-trimethoxyphenyl)-2H-tetrazol-2-yl]acetic acid (CAS 91759-62-5) is a chemical compound with molecular formula C12H14N4O5 and molecular weight 294.0964 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[5-(3,4,5-trimethoxyphenyl)tetrazol-2-yl]acetic acid
Also Known As: CBKinase1_007030, CBKinase1_019430, [5-(3,4,5-trimethoxyphenyl)-2H-tetrazol-2-yl]acetic acid, 5-(3,4,5-Trimethoxyphenyl)-2H-tetrazole-2-acetic acid, 2-[5-(3,4,5-trimethoxyphenyl)tetrazol-2-yl]acetic acid
| Molecular Formula | C12H14N4O5 |
| Molecular Weight | 294.0964 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 294.0964 Da |
| Heavy Atoms | 21 |
| Complexity | 345.0 |
| SMILES | COC1=CC(=CC(=C1OC)OC)C2=NN(N=N2)CC(=O)O |
| InChIKey | WGHINWVEQFYYOY-UHFFFAOYSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [5-(3,4,5-trimethoxyphenyl)-2H-tetrazol-2-yl]acetic acid. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [5-(3,4,5-trimethoxyphenyl)-2H-tetrazol-2-yl]acetic acid. Following Lipinski's Rule of Five, [5-(3,4,5-trimethoxyphenyl)-2H-tetrazol-2-yl]acetic acid has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of [5-(3,4,5-trimethoxyphenyl)-2H-tetrazol-2-yl]acetic acid is 91759-62-5.
The molecular formula of [5-(3,4,5-trimethoxyphenyl)-2H-tetrazol-2-yl]acetic acid is C12H14N4O5.
The molecular weight of [5-(3,4,5-trimethoxyphenyl)-2H-tetrazol-2-yl]acetic acid is 294.0964 g/mol.
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