4-phenyl-1,3(2H,4H)-isoquinolinedione
TL;DR: 4-phenyl-1,3(2H,4H)-isoquinolinedione (CAS 36068-88-9) is a chemical compound with molecular formula C15H11NO2 and molecular weight 237.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenyl-4H-isoquinoline-1,3-dione
Also Known As: Bionet2_000851, 4-phenyl-4H-isoquinoline-1,3-dione, 4-phenyl-1,3(2H,4H)-isoquinolinedione, 4-phenylisoquinoline-1,3( 2h,4h)-dione, 4-phenyl-1,2,3,4-tetrahydroisoquinoline-1,3-dione
| Molecular Formula | C15H11NO2 |
|---|---|
| Molecular Weight | 237.08 g/mol |
| LogP | 2.0885 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 237.07898 |
| Heavy Atoms | 18 |
| Complexity | 619.4006 |
Chemical Identifiers
| CAS Number | 36068-88-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2C3=CC=CC=C3C(=O)NC2=O |
Product Overview
4-phenyl-1,3(2H,4H)-isoquinolinedione (CAS 36068-88-9), with molecular formula C15H11NO2 and molecular weight 237.08 g/mol. IUPAC: 4-phenyl-4H-isoquinoline-1,3-dione.
Chemical Property Profile of 4-phenyl-1,3(2H,4H)-isoquinolinedione
Property Insights of 4-phenyl-1,3(2H,4H)-isoquinolinedione
The XLogP value of 2.0885 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-phenyl-1,3(2H,4H)-isoquinolinedione. With a topological polar surface area (TPSA) of 46.17 Ų, 4-phenyl-1,3(2H,4H)-isoquinolinedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-phenyl-1,3(2H,4H)-isoquinolinedione 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 4-phenyl-1,3(2H,4H)-isoquinolinedione?
The CAS number of 4-phenyl-1,3(2H,4H)-isoquinolinedione is 36068-88-9.
What is the molecular formula of 4-phenyl-1,3(2H,4H)-isoquinolinedione?
The molecular formula of 4-phenyl-1,3(2H,4H)-isoquinolinedione is C15H11NO2.
What is the molecular weight of 4-phenyl-1,3(2H,4H)-isoquinolinedione?
The molecular weight of 4-phenyl-1,3(2H,4H)-isoquinolinedione is 237.08 g/mol.
Where can I buy 4-phenyl-1,3(2H,4H)-isoquinolinedione?
You can request a quote for 4-phenyl-1,3(2H,4H)-isoquinolinedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-phenyl-1,3(2H,4H)-isoquinolinedione?
Yes, KEHONG BIO provides custom synthesis services for 4-phenyl-1,3(2H,4H)-isoquinolinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.