TL;DR: Cambridge id 5156896 (CAS 1177598-13-8) is a chemical compound with molecular formula C11H12N4O2 and molecular weight 232.09602 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,4,10,11-tetrazatetracyclo[6.6.1.02,6.09,13]pentadeca-2,9-diene-5,12-dione
Also Known As: 2,3a,4,5,7,8a,9,10-octahydro-5,10-methanocycloocta[1,2-c:5,6-c']dipyrazole-3,8-dione, (3aS,5R,10R)-4,5,7,8a,9,10-hexahydro-5,10-methanocycloocta[1,2-c:5,6-c']dipyrazole-3,8(2H,3aH)-dione, 4,5,7,8a,9,10-hexahydro-5,10-methanocycloocta[1,2-c:5,6-c']dipyrazole-3,8(2H,3aH)-dione, Cambridge id 5156896
| Molecular Formula | C11H12N4O2 |
| Molecular Weight | 232.09602 g/mol |
| XLogP | -0.5 |
| Topological Polar Surface Area (TPSA) | 82.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 232.09602 Da |
| Heavy Atoms | 17 |
| Complexity | 452.0 |
| SMILES | C1C2CC3C(=NNC3=O)C1CC4C2=NNC4=O |
| InChIKey | JCXUOPSZOYPQOC-UHFFFAOYSA-N |
The XLogP value of -0.5 indicates that Cambridge id 5156896 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 82.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Cambridge id 5156896. Following Lipinski's Rule of Five, Cambridge id 5156896 has 2 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 Cambridge id 5156896 is 1177598-13-8.
The molecular formula of Cambridge id 5156896 is C11H12N4O2.
The molecular weight of Cambridge id 5156896 is 232.09602 g/mol.
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