2-Methylpyrimido(2,1-a)isoindol-4(6H)-one
TL;DR: 2-Methylpyrimido(2,1-a)isoindol-4(6H)-one (CAS 77151-00-9) is a chemical compound with molecular formula C12H10N2O and molecular weight 198.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-6H-pyrimido[2,1-a]isoindol-4-one
Also Known As: 2-methyl-6H-pyrimido[2,1-a]isoindol-4-one, 2-Methylpyrimido(2,1-a)isoindol-4(6H)-one, 2-methylpyrimido[2,1-a]isoindol-4(6H)-one, Pyrimido[2,1-a]isoindol-4(6H)-one, 2-methyl-, 2-methyl-4H,6H-pyrimido[2,1-a]isoindol-4-one
| Molecular Formula | C12H10N2O |
|---|---|
| Molecular Weight | 198.08 g/mol |
| LogP | 1.58042 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 198.07932 |
| Heavy Atoms | 15 |
| Complexity | 598.8114 |
Chemical Identifiers
| CAS Number | 77151-00-9 |
|---|---|
| SMILES | CC1=CC(=O)N2CC3=CC=CC=C3C2=N1 |
Product Overview
2-Methylpyrimido(2,1-a)isoindol-4(6H)-one (CAS 77151-00-9), with molecular formula C12H10N2O and molecular weight 198.08 g/mol. IUPAC: 2-methyl-6H-pyrimido[2,1-a]isoindol-4-one.
Chemical Property Profile of 2-Methylpyrimido(2,1-a)isoindol-4(6H)-one
Property Insights of 2-Methylpyrimido(2,1-a)isoindol-4(6H)-one
The XLogP value of 1.58042 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methylpyrimido(2,1-a)isoindol-4(6H)-one. With a topological polar surface area (TPSA) of 34.89 Ų, 2-Methylpyrimido(2,1-a)isoindol-4(6H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylpyrimido(2,1-a)isoindol-4(6H)-one has 0 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 2-Methylpyrimido(2,1-a)isoindol-4(6H)-one?
The CAS number of 2-Methylpyrimido(2,1-a)isoindol-4(6H)-one is 77151-00-9.
What is the molecular formula of 2-Methylpyrimido(2,1-a)isoindol-4(6H)-one?
The molecular formula of 2-Methylpyrimido(2,1-a)isoindol-4(6H)-one is C12H10N2O.
What is the molecular weight of 2-Methylpyrimido(2,1-a)isoindol-4(6H)-one?
The molecular weight of 2-Methylpyrimido(2,1-a)isoindol-4(6H)-one is 198.08 g/mol.
Where can I buy 2-Methylpyrimido(2,1-a)isoindol-4(6H)-one?
You can request a quote for 2-Methylpyrimido(2,1-a)isoindol-4(6H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylpyrimido(2,1-a)isoindol-4(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylpyrimido(2,1-a)isoindol-4(6H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.