1,3-Benzenedicarboxylic acid, compd. with 1-phenyl-1H-imidazole (1:2)
TL;DR: 1,3-Benzenedicarboxylic acid, compd. with 1-phenyl-1H-imidazole (1:2) (CAS 68298-27-1) is a chemical compound with molecular formula C26H22N4O4 and molecular weight 454.1641 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzene-1,3-dicarboxylic acid;bis(1-phenylimidazole)
Also Known As: KST-1B7583, C9H8N2.1/2C8H6O4, 1,3-Benzenedicarboxylic acid, compd. with 1-phenyl-1H-imidazole (1:2), C9-H8-N2.1/2C8-H6-O4, benzene-1,3-dicarboxylic acid; 1-phenylimidazole
Technical Specifications
| Molecular Formula | C26H22N4O4 |
| Molecular Weight | 454.1641 g/mol |
| XLogP | 4.83 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 454.1641 Da |
| Heavy Atoms | 34 |
| Complexity | 298.0 |
| SMILES | C1=CC=C(C=C1)N2C=CN=C2.C1=CC=C(C=C1)N2C=CN=C2.C1=CC(=CC(=C1)C(=O)O)C(=O)O |
| InChIKey | UVFXIEUMFZVPND-UHFFFAOYSA-N |
Chemical Property Profile of 1,3-Benzenedicarboxylic acid, compd. with 1-phenyl-1H-imidazole (1:2)
Property Insights of 1,3-Benzenedicarboxylic acid, compd. with 1-phenyl-1H-imidazole (1:2)
The XLogP value of 4.83 indicates that 1,3-Benzenedicarboxylic acid, compd. with 1-phenyl-1H-imidazole (1:2) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Benzenedicarboxylic acid, compd. with 1-phenyl-1H-imidazole (1:2). Following Lipinski's Rule of Five, 1,3-Benzenedicarboxylic acid, compd. with 1-phenyl-1H-imidazole (1:2) has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,3-Benzenedicarboxylic acid, compd. with 1-phenyl-1H-imidazole (1:2)?
The CAS number of 1,3-Benzenedicarboxylic acid, compd. with 1-phenyl-1H-imidazole (1:2) is 68298-27-1.
What is the molecular formula of 1,3-Benzenedicarboxylic acid, compd. with 1-phenyl-1H-imidazole (1:2)?
The molecular formula of 1,3-Benzenedicarboxylic acid, compd. with 1-phenyl-1H-imidazole (1:2) is C26H22N4O4.
What is the molecular weight of 1,3-Benzenedicarboxylic acid, compd. with 1-phenyl-1H-imidazole (1:2)?
The molecular weight of 1,3-Benzenedicarboxylic acid, compd. with 1-phenyl-1H-imidazole (1:2) is 454.1641 g/mol.
Where can I buy 1,3-Benzenedicarboxylic acid, compd. with 1-phenyl-1H-imidazole (1:2)?
You can request a quote for 1,3-Benzenedicarboxylic acid, compd. with 1-phenyl-1H-imidazole (1:2) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Benzenedicarboxylic acid, compd. with 1-phenyl-1H-imidazole (1:2)?
Yes, CoreyChem provides custom synthesis services for 1,3-Benzenedicarboxylic acid, compd. with 1-phenyl-1H-imidazole (1:2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.