![5,6-dihydro-4H-benzo[de]isoquinoline structure](/static/products/116/116409-30-4.png)
5,6-dihydro-4H-benzo[de]isoquinoline
TL;DR: 5,6-dihydro-4H-benzo[de]isoquinoline (CAS 116409-30-4) is a chemical compound with molecular formula C12H11N and molecular weight 169.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-dihydro-4H-benzo[de]isoquinoline
Also Known As: 4H-Benz[de]isoquinoline, 5,6-dihydro-, 5,6-dihydro-4H-benzo[de]isoquinoline, 8,9-Dihydro-7H-benzo[de]isoquinoline, 3-azatricyclo[7.3.1.05,13]trideca-1,3,5,7,9(13)-pentaene
| Molecular Formula | C12H11N |
|---|---|
| Molecular Weight | 169.09 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 12.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 169.08914 |
| Heavy Atoms | 13 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 116409-30-4 |
|---|---|
| SMILES | C1CC2=CC=CC3=CN=CC(=C23)C1 |
| InChIKey | QQQCQOQGEXLUDP-UHFFFAOYSA-N |
Product Overview
5,6-dihydro-4H-benzo[de]isoquinoline (CAS 116409-30-4), with molecular formula C12H11N and molecular weight 169.09 g/mol. IUPAC: 5,6-dihydro-4H-benzo[de]isoquinoline.
Chemical Property Profile of 5,6-dihydro-4H-benzo[de]isoquinoline
Property Insights of 5,6-dihydro-4H-benzo[de]isoquinoline
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,6-dihydro-4H-benzo[de]isoquinoline. With a topological polar surface area (TPSA) of 12.9 Ų, 5,6-dihydro-4H-benzo[de]isoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,6-dihydro-4H-benzo[de]isoquinoline has 0 hydrogen bond donor(s) and 1 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 5,6-dihydro-4H-benzo[de]isoquinoline?
The CAS number of 5,6-dihydro-4H-benzo[de]isoquinoline is 116409-30-4.
What is the molecular formula of 5,6-dihydro-4H-benzo[de]isoquinoline?
The molecular formula of 5,6-dihydro-4H-benzo[de]isoquinoline is C12H11N.
What is the molecular weight of 5,6-dihydro-4H-benzo[de]isoquinoline?
The molecular weight of 5,6-dihydro-4H-benzo[de]isoquinoline is 169.09 g/mol.
Where can I buy 5,6-dihydro-4H-benzo[de]isoquinoline?
You can request a quote for 5,6-dihydro-4H-benzo[de]isoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6-dihydro-4H-benzo[de]isoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 5,6-dihydro-4H-benzo[de]isoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.