N-(2,3,4,4a,5,6-Hexahydro-4a-(hydroxymethyl)-3-oxobenzo(h)cinnolin-9-yl)acetamide
TL;DR: N-(2,3,4,4a,5,6-Hexahydro-4a-(hydroxymethyl)-3-oxobenzo(h)cinnolin-9-yl)acetamide (CAS 126681-65-0) is a chemical compound with molecular formula C15H17N3O3 and molecular weight 287.12698 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[4a-(hydroxymethyl)-3-oxo-2,4,5,6-tetrahydrobenzo[h]cinnolin-9-yl]acetamide
Also Known As: N-(2,3,4,4a,5,6-Hexahydro-4a-(hydroxymethyl)-3-oxobenzo(h)cinnolin-9-yl)acetamide, Acetamide, N-(2,3,4,4a,5,6-hexahydro-4a-(hydroxymethyl)-3-oxobenzo(h)cinnolin-9-yl)-, N-[3-Hydroxy-4a-(hydroxymethyl)-4,4a,5,6-tetrahydrobenzo[h]cinnolin-9-yl]ethanimidic acid, N-[4a-(hydroxymethyl)-3-oxo-2,4,5,6-tetrahydrobenzo[h]cinnolin-9-yl]acetamide
Technical Specifications
| Molecular Formula | C15H17N3O3 |
| Molecular Weight | 287.12698 g/mol |
| XLogP | -0.3 |
| Topological Polar Surface Area (TPSA) | 90.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 287.12698 Da |
| Heavy Atoms | 21 |
| Complexity | 491.0 |
| SMILES | CC(=O)NC1=CC2=C(CCC3(C2=NNC(=O)C3)CO)C=C1 |
| InChIKey | ACSBWYVQGYFRAY-UHFFFAOYSA-N |
Chemical Property Profile of N-(2,3,4,4a,5,6-Hexahydro-4a-(hydroxymethyl)-3-oxobenzo(h)cinnolin-9-yl)acetamide
Property Insights of N-(2,3,4,4a,5,6-Hexahydro-4a-(hydroxymethyl)-3-oxobenzo(h)cinnolin-9-yl)acetamide
The XLogP value of -0.3 indicates that N-(2,3,4,4a,5,6-Hexahydro-4a-(hydroxymethyl)-3-oxobenzo(h)cinnolin-9-yl)acetamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 90.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2,3,4,4a,5,6-Hexahydro-4a-(hydroxymethyl)-3-oxobenzo(h)cinnolin-9-yl)acetamide. Following Lipinski's Rule of Five, N-(2,3,4,4a,5,6-Hexahydro-4a-(hydroxymethyl)-3-oxobenzo(h)cinnolin-9-yl)acetamide has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-(2,3,4,4a,5,6-Hexahydro-4a-(hydroxymethyl)-3-oxobenzo(h)cinnolin-9-yl)acetamide?
The CAS number of N-(2,3,4,4a,5,6-Hexahydro-4a-(hydroxymethyl)-3-oxobenzo(h)cinnolin-9-yl)acetamide is 126681-65-0.
What is the molecular formula of N-(2,3,4,4a,5,6-Hexahydro-4a-(hydroxymethyl)-3-oxobenzo(h)cinnolin-9-yl)acetamide?
The molecular formula of N-(2,3,4,4a,5,6-Hexahydro-4a-(hydroxymethyl)-3-oxobenzo(h)cinnolin-9-yl)acetamide is C15H17N3O3.
What is the molecular weight of N-(2,3,4,4a,5,6-Hexahydro-4a-(hydroxymethyl)-3-oxobenzo(h)cinnolin-9-yl)acetamide?
The molecular weight of N-(2,3,4,4a,5,6-Hexahydro-4a-(hydroxymethyl)-3-oxobenzo(h)cinnolin-9-yl)acetamide is 287.12698 g/mol.
Where can I buy N-(2,3,4,4a,5,6-Hexahydro-4a-(hydroxymethyl)-3-oxobenzo(h)cinnolin-9-yl)acetamide?
You can request a quote for N-(2,3,4,4a,5,6-Hexahydro-4a-(hydroxymethyl)-3-oxobenzo(h)cinnolin-9-yl)acetamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(2,3,4,4a,5,6-Hexahydro-4a-(hydroxymethyl)-3-oxobenzo(h)cinnolin-9-yl)acetamide?
Yes, CoreyChem provides custom synthesis services for N-(2,3,4,4a,5,6-Hexahydro-4a-(hydroxymethyl)-3-oxobenzo(h)cinnolin-9-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.