1,3(2H,4H)-Isoquinolinedione, 2-(3-(pentylthio)phenyl)-
TL;DR: 1,3(2H,4H)-Isoquinolinedione, 2-(3-(pentylthio)phenyl)- (CAS 126070-00-6) is a chemical compound with molecular formula C20H21NO2S and molecular weight 339.1293 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3-pentylsulfanylphenyl)-4H-isoquinoline-1,3-dione
Also Known As: 1,3(2H,4H)-Isoquinolinedione, 2-(3-(pentylthio)phenyl)-, 2-(3-pentylsulfanylphenyl)-4H-isoquinoline-1,3-dione, 2-[3-(Pentylthio)phenyl]isoquinoline-1,3(2H,4H)-dione, 2-[3-(pentylsulfanyl)phenyl]isoquinoline-1,3(2H,4H)-dione, 2-[3-(pentylsulfanyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-1,3-dione
Technical Specifications
| Molecular Formula | C20H21NO2S |
| Molecular Weight | 339.1293 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 62.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 339.1293 Da |
| Heavy Atoms | 24 |
| Complexity | 453.0 |
| SMILES | CCCCCSC1=CC=CC(=C1)N2C(=O)CC3=CC=CC=C3C2=O |
| InChIKey | IAMKGNBIIPBAOA-UHFFFAOYSA-N |
Chemical Property Profile of 1,3(2H,4H)-Isoquinolinedione, 2-(3-(pentylthio)phenyl)-
Property Insights of 1,3(2H,4H)-Isoquinolinedione, 2-(3-(pentylthio)phenyl)-
The XLogP value of 4.7 indicates that 1,3(2H,4H)-Isoquinolinedione, 2-(3-(pentylthio)phenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3(2H,4H)-Isoquinolinedione, 2-(3-(pentylthio)phenyl)-. Following Lipinski's Rule of Five, 1,3(2H,4H)-Isoquinolinedione, 2-(3-(pentylthio)phenyl)- 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
What is the CAS number of 1,3(2H,4H)-Isoquinolinedione, 2-(3-(pentylthio)phenyl)-?
The CAS number of 1,3(2H,4H)-Isoquinolinedione, 2-(3-(pentylthio)phenyl)- is 126070-00-6.
What is the molecular formula of 1,3(2H,4H)-Isoquinolinedione, 2-(3-(pentylthio)phenyl)-?
The molecular formula of 1,3(2H,4H)-Isoquinolinedione, 2-(3-(pentylthio)phenyl)- is C20H21NO2S.
What is the molecular weight of 1,3(2H,4H)-Isoquinolinedione, 2-(3-(pentylthio)phenyl)-?
The molecular weight of 1,3(2H,4H)-Isoquinolinedione, 2-(3-(pentylthio)phenyl)- is 339.1293 g/mol.
Where can I buy 1,3(2H,4H)-Isoquinolinedione, 2-(3-(pentylthio)phenyl)-?
You can request a quote for 1,3(2H,4H)-Isoquinolinedione, 2-(3-(pentylthio)phenyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3(2H,4H)-Isoquinolinedione, 2-(3-(pentylthio)phenyl)-?
Yes, CoreyChem provides custom synthesis services for 1,3(2H,4H)-Isoquinolinedione, 2-(3-(pentylthio)phenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.