![1-(6-methoxy-3-methyl-1H-benzo[de]cinnolin-1-yl)ethanone structure](/static/products/800/80099-19-0.png)
1-(6-methoxy-3-methyl-1H-benzo[de]cinnolin-1-yl)ethanone
TL;DR: 1-(6-methoxy-3-methyl-1H-benzo[de]cinnolin-1-yl)ethanone (CAS 80099-19-0) is a chemical compound with molecular formula C15H14N2O2 and molecular weight 254.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(8-methoxy-4-methyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaen-2-yl)ethanone
Also Known As: 1-(6-methoxy-3-methyl-1H-benzo[de]cinnolin-1-yl)ethanone, 1-(6-methoxy-3-methyl-1h-1,2-diazaphenalen-1-yl)ethanone
| Molecular Formula | C15H14N2O2 |
|---|---|
| Molecular Weight | 254.11 g/mol |
| LogP | 2.9389 |
| Topological Polar Surface Area | 41.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 254.10553 |
| Heavy Atoms | 19 |
| Complexity | 719.4025 |
Chemical Identifiers
| CAS Number | 80099-19-0 |
|---|---|
| SMILES | CC1=NN(C2=CC=CC3=C(C=CC1=C32)OC)C(=O)C |
Product Overview
1-(6-methoxy-3-methyl-1H-benzo[de]cinnolin-1-yl)ethanone (CAS 80099-19-0), with molecular formula C15H14N2O2 and molecular weight 254.11 g/mol. IUPAC: 1-(8-methoxy-4-methyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaen-2-yl)ethanone.
Chemical Property Profile of 1-(6-methoxy-3-methyl-1H-benzo[de]cinnolin-1-yl)ethanone
Property Insights of 1-(6-methoxy-3-methyl-1H-benzo[de]cinnolin-1-yl)ethanone
The XLogP value of 2.9389 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(6-methoxy-3-methyl-1H-benzo[de]cinnolin-1-yl)ethanone. With a topological polar surface area (TPSA) of 41.9 Ų, 1-(6-methoxy-3-methyl-1H-benzo[de]cinnolin-1-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(6-methoxy-3-methyl-1H-benzo[de]cinnolin-1-yl)ethanone has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(6-methoxy-3-methyl-1H-benzo[de]cinnolin-1-yl)ethanone?
The CAS number of 1-(6-methoxy-3-methyl-1H-benzo[de]cinnolin-1-yl)ethanone is 80099-19-0.
What is the molecular formula of 1-(6-methoxy-3-methyl-1H-benzo[de]cinnolin-1-yl)ethanone?
The molecular formula of 1-(6-methoxy-3-methyl-1H-benzo[de]cinnolin-1-yl)ethanone is C15H14N2O2.
What is the molecular weight of 1-(6-methoxy-3-methyl-1H-benzo[de]cinnolin-1-yl)ethanone?
The molecular weight of 1-(6-methoxy-3-methyl-1H-benzo[de]cinnolin-1-yl)ethanone is 254.11 g/mol.
Where can I buy 1-(6-methoxy-3-methyl-1H-benzo[de]cinnolin-1-yl)ethanone?
You can request a quote for 1-(6-methoxy-3-methyl-1H-benzo[de]cinnolin-1-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(6-methoxy-3-methyl-1H-benzo[de]cinnolin-1-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(6-methoxy-3-methyl-1H-benzo[de]cinnolin-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.