3-Phenyl-2,3-dihydroisoquinoline-1,4-dione
TL;DR: 3-Phenyl-2,3-dihydroisoquinoline-1,4-dione (CAS 5114-55-6) 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.
3-phenyl-2,3-dihydroisoquinoline-1,4-dione
Also Known As: 2-styryl-4-thiochromone, 3-phenyl-2,3-dihydroisoquinoline-1,4-dione, 3-phenyl-2,3-dihydro-isoquinoline-1,4-dione, 3-(1-Adamantylmethyl)-2-(4-methoxyphenyl)thiazolidin-4-one
| Molecular Formula | C15H11NO2 |
|---|---|
| Molecular Weight | 237.08 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 237.07898 |
| Heavy Atoms | 18 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 5114-55-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2C(=O)C3=CC=CC=C3C(=O)N2 |
| InChIKey | SFTNFPMEUIKAKN-UHFFFAOYSA-N |
Product Overview
3-Phenyl-2,3-dihydroisoquinoline-1,4-dione (CAS 5114-55-6), with molecular formula C15H11NO2 and molecular weight 237.08 g/mol. IUPAC: 3-phenyl-2,3-dihydroisoquinoline-1,4-dione.
Chemical Property Profile of 3-Phenyl-2,3-dihydroisoquinoline-1,4-dione
Property Insights of 3-Phenyl-2,3-dihydroisoquinoline-1,4-dione
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Phenyl-2,3-dihydroisoquinoline-1,4-dione. With a topological polar surface area (TPSA) of 46.2 Ų, 3-Phenyl-2,3-dihydroisoquinoline-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenyl-2,3-dihydroisoquinoline-1,4-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 3-Phenyl-2,3-dihydroisoquinoline-1,4-dione?
The CAS number of 3-Phenyl-2,3-dihydroisoquinoline-1,4-dione is 5114-55-6.
What is the molecular formula of 3-Phenyl-2,3-dihydroisoquinoline-1,4-dione?
The molecular formula of 3-Phenyl-2,3-dihydroisoquinoline-1,4-dione is C15H11NO2.
What is the molecular weight of 3-Phenyl-2,3-dihydroisoquinoline-1,4-dione?
The molecular weight of 3-Phenyl-2,3-dihydroisoquinoline-1,4-dione is 237.08 g/mol.
Where can I buy 3-Phenyl-2,3-dihydroisoquinoline-1,4-dione?
You can request a quote for 3-Phenyl-2,3-dihydroisoquinoline-1,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenyl-2,3-dihydroisoquinoline-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenyl-2,3-dihydroisoquinoline-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.