1,3(2H,4H)-Isoquinolinedione, 2-(4-methoxyphenyl)-
TL;DR: 1,3(2H,4H)-Isoquinolinedione, 2-(4-methoxyphenyl)- (CAS 60462-91-1) is a chemical compound with molecular formula C16H13NO3 and molecular weight 267.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methoxyphenyl)-4H-isoquinoline-1,3-dione
Also Known As: IFLab1_005241, 2-(4-methoxyphenyl)isoquinoline-1,3(2H,4H)-dione, 1,3(2H,4H)-Isoquinolinedione, 2-(4-methoxyphenyl)-, 2-(4-methoxyphenyl)-4H-isoquinoline-1,3-dione, 2-(4-methoxyphenyl)-1,3(2H,4H)-isoquinolinedione
| Molecular Formula | C16H13NO3 |
|---|---|
| Molecular Weight | 267.09 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.08954 |
| Heavy Atoms | 20 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 60462-91-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)CC3=CC=CC=C3C2=O |
| InChIKey | BLCWNIGSFBOPQU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3(2H,4H)-Isoquinolinedione, 2-(4-methoxyphenyl)- (CAS 60462-91-1), with molecular formula C16H13NO3 and molecular weight 267.09 g/mol. IUPAC: 2-(4-methoxyphenyl)-4H-isoquinoline-1,3-dione.
Chemical Property Profile of 1,3(2H,4H)-Isoquinolinedione, 2-(4-methoxyphenyl)-
Property Insights of 1,3(2H,4H)-Isoquinolinedione, 2-(4-methoxyphenyl)-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3(2H,4H)-Isoquinolinedione, 2-(4-methoxyphenyl)-. With a topological polar surface area (TPSA) of 46.6 Ų, 1,3(2H,4H)-Isoquinolinedione, 2-(4-methoxyphenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3(2H,4H)-Isoquinolinedione, 2-(4-methoxyphenyl)- 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
Frequently Asked Questions
What is the CAS number of 1,3(2H,4H)-Isoquinolinedione, 2-(4-methoxyphenyl)-?
The CAS number of 1,3(2H,4H)-Isoquinolinedione, 2-(4-methoxyphenyl)- is 60462-91-1.
What is the molecular formula of 1,3(2H,4H)-Isoquinolinedione, 2-(4-methoxyphenyl)-?
The molecular formula of 1,3(2H,4H)-Isoquinolinedione, 2-(4-methoxyphenyl)- is C16H13NO3.
What is the molecular weight of 1,3(2H,4H)-Isoquinolinedione, 2-(4-methoxyphenyl)-?
The molecular weight of 1,3(2H,4H)-Isoquinolinedione, 2-(4-methoxyphenyl)- is 267.09 g/mol.
Where can I buy 1,3(2H,4H)-Isoquinolinedione, 2-(4-methoxyphenyl)-?
You can request a quote for 1,3(2H,4H)-Isoquinolinedione, 2-(4-methoxyphenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3(2H,4H)-Isoquinolinedione, 2-(4-methoxyphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3(2H,4H)-Isoquinolinedione, 2-(4-methoxyphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.