TL;DR: ccvj (CAS 142978-18-5) is a chemical compound with molecular formula C16H16N2O2 and molecular weight 268.1212 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ccvj
3-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-2-cyanoprop-2-enoic acid
Also Known As: ccvj, 9-(2-Carboxy-2-cyanovinyl)julolidine, (2Z)-2-cyano-3-(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-yl)acrylic acid, 2-cyano-3-(2,3,6,7-tetrahydro-1h,5h-pyrido[3,2,1-ij]quinolin-9-yl)prop-2-enoic acid, 3-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-2-cyano-prop-2-enoic acid
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C16H16N2O2 |
| Molecular Weight | 268.1212 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 64.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.1212 Da |
| Heavy Atoms | 20 |
| Complexity | 456.0 |
| SMILES | C1CC2=CC(=CC3=C2N(C1)CCC3)C=C(C#N)C(=O)O |
| InChIKey | JXENNHTVELFRHV-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ccvj. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for ccvj. Following Lipinski's Rule of Five, ccvj has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of ccvj is 142978-18-5.
The molecular formula of ccvj is C16H16N2O2.
The molecular weight of ccvj is 268.1212 g/mol.
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