TL;DR: 3-[(4-Amino-3-methoxyphenyl)azo]benzoic acid (CAS 133779-16-5) is a chemical compound with molecular formula C14H13N3O3 and molecular weight 271.0957 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(4-amino-3-methoxyphenyl)diazenyl]benzoic acid
Also Known As: 3-[(4-Amino-3-methoxyphenyl)azo]benzoic acid, 4'-Amino-3'-methoxyazobenzene-3-carboxylic acid, 3-(4-amino-3-methoxy-phenyl)diazenylbenzoic Acid, Benzoic acid, 3-[(4-amino-3-methoxyphenyl)azo]-, 3-[(4-amino-3-methoxyphenyl)diazenyl]benzoic acid
| Molecular Formula | C14H13N3O3 |
| Molecular Weight | 271.0957 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 97.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 271.0957 Da |
| Heavy Atoms | 20 |
| Complexity | 362.0 |
| SMILES | COC1=C(C=CC(=C1)N=NC2=CC=CC(=C2)C(=O)O)N |
| InChIKey | DOHWEOZHOWPEAB-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(4-Amino-3-methoxyphenyl)azo]benzoic acid. The TPSA of 97.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(4-Amino-3-methoxyphenyl)azo]benzoic acid. Following Lipinski's Rule of Five, 3-[(4-Amino-3-methoxyphenyl)azo]benzoic acid has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-[(4-Amino-3-methoxyphenyl)azo]benzoic acid is 133779-16-5.
The molecular formula of 3-[(4-Amino-3-methoxyphenyl)azo]benzoic acid is C14H13N3O3.
The molecular weight of 3-[(4-Amino-3-methoxyphenyl)azo]benzoic acid is 271.0957 g/mol.
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