TL;DR: 7-Oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-[[[4-(2-phenyldiazenyl)phenyl]amino]carbonyl]- (CAS 1025300-42-8) is a chemical compound with molecular formula C20H17N3O4 and molecular weight 363.12192 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(4-phenyldiazenylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Also Known As: 7-Oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-[[[4-(2-phenyldiazenyl)phenyl]amino]carbonyl]-, 2-[(4-phenyldiazenylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid, 6-[(4-phenyldiazenylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-2-ene-5-carboxylic Acid
| Molecular Formula | C20H17N3O4 |
| Molecular Weight | 363.12192 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 100.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 363.12192 Da |
| Heavy Atoms | 27 |
| Complexity | 621.0 |
| SMILES | C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC(=O)C3C4C=CC(C3C(=O)O)O4 |
| InChIKey | OEEXMWPSNOIHDF-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-[[[4-(2-phenyldiazenyl)phenyl]amino]carbonyl]-. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-[[[4-(2-phenyldiazenyl)phenyl]amino]carbonyl]-. Following Lipinski's Rule of Five, 7-Oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-[[[4-(2-phenyldiazenyl)phenyl]amino]carbonyl]- 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 7-Oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-[[[4-(2-phenyldiazenyl)phenyl]amino]carbonyl]- is 1025300-42-8.
The molecular formula of 7-Oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-[[[4-(2-phenyldiazenyl)phenyl]amino]carbonyl]- is C20H17N3O4.
The molecular weight of 7-Oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-[[[4-(2-phenyldiazenyl)phenyl]amino]carbonyl]- is 363.12192 g/mol.
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