TL;DR: 4,4-Azobis(4-cyanovaleric acid) (CAS 2638-94-0) is a chemical compound with molecular formula C12H16N4O4 and molecular weight 280.11716 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(4-carboxy-2-cyanobutan-2-yl)diazenyl]-4-cyanopentanoic acid
Also Known As: 4,4'-Azobis(4-cyanovaleric acid), ACVA, Azobis(cyanovaleric acid), ABCVA, 4,4'-Azobis(4-cyanopentanoic acid)
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C12H16N4O4 |
| Molecular Weight | 280.11716 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 147.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 280.11716 Da |
| Heavy Atoms | 20 |
| Complexity | 466.0 |
| SMILES | CC(CCC(=O)O)(C#N)N=NC(C)(CCC(=O)O)C#N |
| InChIKey | VFXXTYGQYWRHJP-UHFFFAOYSA-N |
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4-Azobis(4-cyanovaleric acid). The TPSA of 147.0 Ų indicates high polarity, suggesting 4,4-Azobis(4-cyanovaleric acid) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4,4-Azobis(4-cyanovaleric acid) has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4,4-Azobis(4-cyanovaleric acid) is 2638-94-0.
The molecular formula of 4,4-Azobis(4-cyanovaleric acid) is C12H16N4O4.
The molecular weight of 4,4-Azobis(4-cyanovaleric acid) is 280.11716 g/mol.
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