Benzo(h)cinnolin-3(2H)-one, 4,4a,5,6-tetrahydro-4a-(hydroxymethyl)-
TL;DR: Benzo(h)cinnolin-3(2H)-one, 4,4a,5,6-tetrahydro-4a-(hydroxymethyl)- (CAS 126681-63-8) is a chemical compound with molecular formula C13H14N2O2 and molecular weight 230.10553 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4a-(hydroxymethyl)-2,4,5,6-tetrahydrobenzo[h]cinnolin-3-one
Also Known As: 4,4a,5,6-Tetrahydro-4a-(hydroxymethyl)-benzo(h)cinnolin-3(2H)-one, Benzo(h)cinnolin-3(2H)-one, 4,4a,5,6-tetrahydro-4a-(hydroxymethyl)-, 4a-(hydroxymethyl)-2,4,5,6-tetrahydrobenzo[h]cinnolin-3-one, 4a-(Hydroxymethyl)-4,4a,5,6-tetrahydrobenzo[h]cinnolin-3-ol
Technical Specifications
| Molecular Formula | C13H14N2O2 |
| Molecular Weight | 230.10553 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 61.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 230.10553 Da |
| Heavy Atoms | 17 |
| Complexity | 366.0 |
| SMILES | C1CC2(CC(=O)NN=C2C3=CC=CC=C31)CO |
| InChIKey | MRORQEPNAYBACB-UHFFFAOYSA-N |
Chemical Property Profile of Benzo(h)cinnolin-3(2H)-one, 4,4a,5,6-tetrahydro-4a-(hydroxymethyl)-
Property Insights of Benzo(h)cinnolin-3(2H)-one, 4,4a,5,6-tetrahydro-4a-(hydroxymethyl)-
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzo(h)cinnolin-3(2H)-one, 4,4a,5,6-tetrahydro-4a-(hydroxymethyl)-. The TPSA of 61.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzo(h)cinnolin-3(2H)-one, 4,4a,5,6-tetrahydro-4a-(hydroxymethyl)-. Following Lipinski's Rule of Five, Benzo(h)cinnolin-3(2H)-one, 4,4a,5,6-tetrahydro-4a-(hydroxymethyl)- has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzo(h)cinnolin-3(2H)-one, 4,4a,5,6-tetrahydro-4a-(hydroxymethyl)-?
The CAS number of Benzo(h)cinnolin-3(2H)-one, 4,4a,5,6-tetrahydro-4a-(hydroxymethyl)- is 126681-63-8.
What is the molecular formula of Benzo(h)cinnolin-3(2H)-one, 4,4a,5,6-tetrahydro-4a-(hydroxymethyl)-?
The molecular formula of Benzo(h)cinnolin-3(2H)-one, 4,4a,5,6-tetrahydro-4a-(hydroxymethyl)- is C13H14N2O2.
What is the molecular weight of Benzo(h)cinnolin-3(2H)-one, 4,4a,5,6-tetrahydro-4a-(hydroxymethyl)-?
The molecular weight of Benzo(h)cinnolin-3(2H)-one, 4,4a,5,6-tetrahydro-4a-(hydroxymethyl)- is 230.10553 g/mol.
Where can I buy Benzo(h)cinnolin-3(2H)-one, 4,4a,5,6-tetrahydro-4a-(hydroxymethyl)-?
You can request a quote for Benzo(h)cinnolin-3(2H)-one, 4,4a,5,6-tetrahydro-4a-(hydroxymethyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzo(h)cinnolin-3(2H)-one, 4,4a,5,6-tetrahydro-4a-(hydroxymethyl)-?
Yes, CoreyChem provides custom synthesis services for Benzo(h)cinnolin-3(2H)-one, 4,4a,5,6-tetrahydro-4a-(hydroxymethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.