2-methylisoquinoline-1,3,4(2H)-trione
TL;DR: 2-methylisoquinoline-1,3,4(2H)-trione (CAS 21640-33-5) is a chemical compound with molecular formula C10H7NO3 and molecular weight 189.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylisoquinoline-1,3,4-trione
Also Known As: 2-methylisoquinoline-1,3,4(2H)-trione, N-methylphthalonimide, 2-methylisoquinoline-1,3,4-trione, 2-methyl-isoquinoline-1,3,4-trione, Isoquinoline-1,3,4-trione 2a
| Molecular Formula | C10H7NO3 |
|---|---|
| Molecular Weight | 189.04 g/mol |
| LogP | 0.4815 |
| Topological Polar Surface Area | 54.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 189.04259 |
| Heavy Atoms | 14 |
| Complexity | 450.43527 |
Chemical Identifiers
| CAS Number | 21640-33-5 |
|---|---|
| SMILES | CN1C(=O)C2=CC=CC=C2C(=O)C1=O |
Product Overview
2-methylisoquinoline-1,3,4(2H)-trione (CAS 21640-33-5), with molecular formula C10H7NO3 and molecular weight 189.04 g/mol. IUPAC: 2-methylisoquinoline-1,3,4-trione.
Chemical Property Profile of 2-methylisoquinoline-1,3,4(2H)-trione
Property Insights of 2-methylisoquinoline-1,3,4(2H)-trione
The XLogP value of 0.4815 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-methylisoquinoline-1,3,4(2H)-trione. With a topological polar surface area (TPSA) of 54.45 Ų, 2-methylisoquinoline-1,3,4(2H)-trione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-methylisoquinoline-1,3,4(2H)-trione 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 2-methylisoquinoline-1,3,4(2H)-trione?
The CAS number of 2-methylisoquinoline-1,3,4(2H)-trione is 21640-33-5.
What is the molecular formula of 2-methylisoquinoline-1,3,4(2H)-trione?
The molecular formula of 2-methylisoquinoline-1,3,4(2H)-trione is C10H7NO3.
What is the molecular weight of 2-methylisoquinoline-1,3,4(2H)-trione?
The molecular weight of 2-methylisoquinoline-1,3,4(2H)-trione is 189.04 g/mol.
Where can I buy 2-methylisoquinoline-1,3,4(2H)-trione?
You can request a quote for 2-methylisoquinoline-1,3,4(2H)-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methylisoquinoline-1,3,4(2H)-trione?
Yes, KEHONG BIO provides custom synthesis services for 2-methylisoquinoline-1,3,4(2H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.