![3-[(1E)-2-(2-METHYL-4-OXO-1-PHENYL-4,5-DIHYDRO-1H-IMIDAZOL-5-YL)DIAZEN-1-YL]BENZOIC ACID structure](/static/products/116/1165803-86-0.webp)
3-[(1E)-2-(2-METHYL-4-OXO-1-PHENYL-4,5-DIHYDRO-1H-IMIDAZOL-5-YL)DIAZEN-1-YL]BENZOIC ACID
TL;DR: 3-[(1E)-2-(2-METHYL-4-OXO-1-PHENYL-4,5-DIHYDRO-1H-IMIDAZOL-5-YL)DIAZEN-1-YL]BENZOIC ACID (CAS 1165803-86-0) is a chemical compound with molecular formula C17H14N4O3 and molecular weight 322.1066 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(2-methyl-5-oxo-3-phenyl-4H-imidazol-4-yl)diazenyl]benzoic acid
Also Known As: 3-[(1E)-2-(2-METHYL-4-OXO-1-PHENYL-4,5-DIHYDRO-1H-IMIDAZOL-5-YL)DIAZEN-1-YL]BENZOIC ACID, (E)-3-((2-Methyl-4-oxo-1-phenyl-4,5-dihydro-1H-imidazol-5-yl)diazenyl)benzoic acid
Technical Specifications
| Molecular Formula | C17H14N4O3 |
| Molecular Weight | 322.1066 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 94.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 322.1066 Da |
| Heavy Atoms | 24 |
| Complexity | 554.0 |
| SMILES | CC1=NC(=O)C(N1C2=CC=CC=C2)N=NC3=CC=CC(=C3)C(=O)O |
| InChIKey | QRAKVWRIBCUSQM-UHFFFAOYSA-N |
Chemical Property Profile of 3-[(1E)-2-(2-METHYL-4-OXO-1-PHENYL-4,5-DIHYDRO-1H-IMIDAZOL-5-YL)DIAZEN-1-YL]BENZOIC ACID
Property Insights of 3-[(1E)-2-(2-METHYL-4-OXO-1-PHENYL-4,5-DIHYDRO-1H-IMIDAZOL-5-YL)DIAZEN-1-YL]BENZOIC ACID
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(1E)-2-(2-METHYL-4-OXO-1-PHENYL-4,5-DIHYDRO-1H-IMIDAZOL-5-YL)DIAZEN-1-YL]BENZOIC ACID. The TPSA of 94.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(1E)-2-(2-METHYL-4-OXO-1-PHENYL-4,5-DIHYDRO-1H-IMIDAZOL-5-YL)DIAZEN-1-YL]BENZOIC ACID. Following Lipinski's Rule of Five, 3-[(1E)-2-(2-METHYL-4-OXO-1-PHENYL-4,5-DIHYDRO-1H-IMIDAZOL-5-YL)DIAZEN-1-YL]BENZOIC ACID has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-[(1E)-2-(2-METHYL-4-OXO-1-PHENYL-4,5-DIHYDRO-1H-IMIDAZOL-5-YL)DIAZEN-1-YL]BENZOIC ACID?
The CAS number of 3-[(1E)-2-(2-METHYL-4-OXO-1-PHENYL-4,5-DIHYDRO-1H-IMIDAZOL-5-YL)DIAZEN-1-YL]BENZOIC ACID is 1165803-86-0.
What is the molecular formula of 3-[(1E)-2-(2-METHYL-4-OXO-1-PHENYL-4,5-DIHYDRO-1H-IMIDAZOL-5-YL)DIAZEN-1-YL]BENZOIC ACID?
The molecular formula of 3-[(1E)-2-(2-METHYL-4-OXO-1-PHENYL-4,5-DIHYDRO-1H-IMIDAZOL-5-YL)DIAZEN-1-YL]BENZOIC ACID is C17H14N4O3.
What is the molecular weight of 3-[(1E)-2-(2-METHYL-4-OXO-1-PHENYL-4,5-DIHYDRO-1H-IMIDAZOL-5-YL)DIAZEN-1-YL]BENZOIC ACID?
The molecular weight of 3-[(1E)-2-(2-METHYL-4-OXO-1-PHENYL-4,5-DIHYDRO-1H-IMIDAZOL-5-YL)DIAZEN-1-YL]BENZOIC ACID is 322.1066 g/mol.
Where can I buy 3-[(1E)-2-(2-METHYL-4-OXO-1-PHENYL-4,5-DIHYDRO-1H-IMIDAZOL-5-YL)DIAZEN-1-YL]BENZOIC ACID?
You can request a quote for 3-[(1E)-2-(2-METHYL-4-OXO-1-PHENYL-4,5-DIHYDRO-1H-IMIDAZOL-5-YL)DIAZEN-1-YL]BENZOIC ACID directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-[(1E)-2-(2-METHYL-4-OXO-1-PHENYL-4,5-DIHYDRO-1H-IMIDAZOL-5-YL)DIAZEN-1-YL]BENZOIC ACID?
Yes, CoreyChem provides custom synthesis services for 3-[(1E)-2-(2-METHYL-4-OXO-1-PHENYL-4,5-DIHYDRO-1H-IMIDAZOL-5-YL)DIAZEN-1-YL]BENZOIC ACID and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.