TL;DR: 2-Propenoic acid, 3-(4-(3,3-dimethyl-1-triazenyl)phenyl)- (CAS 59971-42-5) is a chemical compound with molecular formula C11H13N3O2 and molecular weight 219.10077 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-[4-(dimethylaminodiazenyl)phenyl]prop-2-enoic acid
Also Known As: p-(3,3-Dimethyltriazeno)cinnamic acid, 3,3-Dimethyl-1-(p-propylphenyl)triazene, CINNAMIC ACID, p-(3,3-DIMETHYLTRIAZENO)-, p-(3,3-Dimethyl-1-triazeno)cinnamic acid, 2-Propenoic acid, 3-(4-(3,3-dimethyl-1-triazenyl)phenyl)-
| Molecular Formula | C11H13N3O2 |
| Molecular Weight | 219.10077 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 65.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 219.10077 Da |
| Heavy Atoms | 16 |
| Complexity | 279.0 |
| SMILES | CN(C)N=NC1=CC=C(C=C1)/C=C/C(=O)O |
| InChIKey | UUAVEVPECFBWHW-FJYQEEKISA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid, 3-(4-(3,3-dimethyl-1-triazenyl)phenyl)-. The TPSA of 65.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propenoic acid, 3-(4-(3,3-dimethyl-1-triazenyl)phenyl)-. Following Lipinski's Rule of Five, 2-Propenoic acid, 3-(4-(3,3-dimethyl-1-triazenyl)phenyl)- has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-Propenoic acid, 3-(4-(3,3-dimethyl-1-triazenyl)phenyl)- is 59971-42-5.
The molecular formula of 2-Propenoic acid, 3-(4-(3,3-dimethyl-1-triazenyl)phenyl)- is C11H13N3O2.
The molecular weight of 2-Propenoic acid, 3-(4-(3,3-dimethyl-1-triazenyl)phenyl)- is 219.10077 g/mol.
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