![3a,4,5,6-Tetrahydrobenzo[de]isoquinoline-1,3-dione structure](/static/products/7196/71960-95-7.webp)
3a,4,5,6-Tetrahydrobenzo[de]isoquinoline-1,3-dione
TL;DR: 3a,4,5,6-Tetrahydrobenzo[de]isoquinoline-1,3-dione (CAS 71960-95-7) is a chemical compound with molecular formula C12H11NO2 and molecular weight 201.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3a,4,5,6-tetrahydrobenzo[de]isoquinoline-1,3-dione
Also Known As: 3a,4,5,6-tetrahydrobenzo[de]isoquinoline-1,3-dione, 3a,4,5,6-Tetrahydrobenz[de]isoquinoline-1,3(2H)-dione, 3a,4,5,6-Tetrahydro-1H-benzo[de]isoquinoline-1,3(2H)-dione
| Molecular Formula | C12H11NO2 |
|---|---|
| Molecular Weight | 201.08 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 201.07898 |
| Heavy Atoms | 15 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 71960-95-7 |
|---|---|
| SMILES | C1CC2C3=C(C1)C=CC=C3C(=O)NC2=O |
| InChIKey | RSBGHQYWTSSOHB-UHFFFAOYSA-N |
Product Overview
3a,4,5,6-Tetrahydrobenzo[de]isoquinoline-1,3-dione (CAS 71960-95-7), with molecular formula C12H11NO2 and molecular weight 201.08 g/mol. IUPAC: 3a,4,5,6-tetrahydrobenzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of 3a,4,5,6-Tetrahydrobenzo[de]isoquinoline-1,3-dione
Property Insights of 3a,4,5,6-Tetrahydrobenzo[de]isoquinoline-1,3-dione
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3a,4,5,6-Tetrahydrobenzo[de]isoquinoline-1,3-dione. With a topological polar surface area (TPSA) of 46.2 Ų, 3a,4,5,6-Tetrahydrobenzo[de]isoquinoline-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3a,4,5,6-Tetrahydrobenzo[de]isoquinoline-1,3-dione has 1 hydrogen bond donor(s) and 2 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 3a,4,5,6-Tetrahydrobenzo[de]isoquinoline-1,3-dione?
The CAS number of 3a,4,5,6-Tetrahydrobenzo[de]isoquinoline-1,3-dione is 71960-95-7.
What is the molecular formula of 3a,4,5,6-Tetrahydrobenzo[de]isoquinoline-1,3-dione?
The molecular formula of 3a,4,5,6-Tetrahydrobenzo[de]isoquinoline-1,3-dione is C12H11NO2.
What is the molecular weight of 3a,4,5,6-Tetrahydrobenzo[de]isoquinoline-1,3-dione?
The molecular weight of 3a,4,5,6-Tetrahydrobenzo[de]isoquinoline-1,3-dione is 201.08 g/mol.
Where can I buy 3a,4,5,6-Tetrahydrobenzo[de]isoquinoline-1,3-dione?
You can request a quote for 3a,4,5,6-Tetrahydrobenzo[de]isoquinoline-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3a,4,5,6-Tetrahydrobenzo[de]isoquinoline-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 3a,4,5,6-Tetrahydrobenzo[de]isoquinoline-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.