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2-methyl-3-thioxo-2,3,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1(5H)-one
TL;DR: 2-methyl-3-thioxo-2,3,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1(5H)-one (CAS 133211-47-9) is a chemical compound with molecular formula C12H12N2OS and molecular weight 232.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-3-sulfanylidene-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-1-one
Also Known As: 2-methyl-3-thioxo-2,3,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1(5H)-one, 5N-760, 2-methyl-3-sulfanylidene-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-1-one, 2-methyl-3-sulfanylidene-1H,2H,3H,5H,10H,10aH-imidazo[1,5-b]isoquinolin-1-one, 2-methyl-3-sulfanylidene-5H,10H,10aH-imidazo[1,5-b]isoquinolin-1-one
| Molecular Formula | C12H12N2OS |
|---|---|
| Molecular Weight | 232.07 g/mol |
| LogP | 1.1702 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 232.06703 |
| Heavy Atoms | 16 |
| Complexity | 442.66205 |
Chemical Identifiers
| CAS Number | 133211-47-9 |
|---|---|
| SMILES | CN1C(=O)C2CC3=CC=CC=C3CN2C1=S |
Product Overview
2-methyl-3-thioxo-2,3,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1(5H)-one (CAS 133211-47-9), with molecular formula C12H12N2OS and molecular weight 232.07 g/mol. IUPAC: 2-methyl-3-sulfanylidene-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-1-one.
Chemical Property Profile of 2-methyl-3-thioxo-2,3,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1(5H)-one
Property Insights of 2-methyl-3-thioxo-2,3,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1(5H)-one
The XLogP value of 1.1702 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-methyl-3-thioxo-2,3,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1(5H)-one. With a topological polar surface area (TPSA) of 23.55 Ų, 2-methyl-3-thioxo-2,3,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1(5H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-methyl-3-thioxo-2,3,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1(5H)-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-methyl-3-thioxo-2,3,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1(5H)-one?
The CAS number of 2-methyl-3-thioxo-2,3,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1(5H)-one is 133211-47-9.
What is the molecular formula of 2-methyl-3-thioxo-2,3,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1(5H)-one?
The molecular formula of 2-methyl-3-thioxo-2,3,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1(5H)-one is C12H12N2OS.
What is the molecular weight of 2-methyl-3-thioxo-2,3,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1(5H)-one?
The molecular weight of 2-methyl-3-thioxo-2,3,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1(5H)-one is 232.07 g/mol.
Where can I buy 2-methyl-3-thioxo-2,3,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1(5H)-one?
You can request a quote for 2-methyl-3-thioxo-2,3,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methyl-3-thioxo-2,3,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl-3-thioxo-2,3,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.