![ethyl 2-[1-oxo-3-thioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]acetate structure](/static/products/3185/318517-22-5.webp)
ethyl 2-[1-oxo-3-thioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]acetate
TL;DR: ethyl 2-[1-oxo-3-thioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]acetate (CAS 318517-22-5) is a chemical compound with molecular formula C15H16N2O3S and molecular weight 304.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(1-oxo-3-sulfanylidene-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl)acetate
Also Known As: ethyl 2-[1-oxo-3-thioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]acetate, ethyl 2-(1-oxo-3-sulfanylidene-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl)acetate, ethyl 2-{1-oxo-3-sulfanylidene-1H,2H,3H,5H,10H,10aH-imidazo[1,5-b]isoquinolin-2-yl}acetate, ethyl 2-{1-oxo-3-sulfanylidene-5H,10H,10aH-imidazo[1,5-b]isoquinolin-2-yl}acetate, ethyl2-{1-oxo-3-sulfanylidene-1H,2H,3H,5H,10H,10aH-imidazo[1,5-b]isoquinolin-2-yl}acetate
| Molecular Formula | C15H16N2O3S |
|---|---|
| Molecular Weight | 304.09 g/mol |
| LogP | 1.1035 |
| Topological Polar Surface Area | 49.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 304.08817 |
| Heavy Atoms | 21 |
| Complexity | 573.6912 |
Chemical Identifiers
| CAS Number | 318517-22-5 |
|---|---|
| SMILES | CCOC(=O)CN1C(=O)C2CC3=CC=CC=C3CN2C1=S |
Product Overview
ethyl 2-[1-oxo-3-thioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]acetate (CAS 318517-22-5), with molecular formula C15H16N2O3S and molecular weight 304.09 g/mol. IUPAC: ethyl 2-(1-oxo-3-sulfanylidene-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl)acetate.
Chemical Property Profile of ethyl 2-[1-oxo-3-thioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]acetate
Property Insights of ethyl 2-[1-oxo-3-thioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]acetate
The XLogP value of 1.1035 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-[1-oxo-3-thioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]acetate. With a topological polar surface area (TPSA) of 49.85 Ų, ethyl 2-[1-oxo-3-thioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 2-[1-oxo-3-thioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]acetate has 0 hydrogen bond donor(s) and 4 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 ethyl 2-[1-oxo-3-thioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]acetate?
The CAS number of ethyl 2-[1-oxo-3-thioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]acetate is 318517-22-5.
What is the molecular formula of ethyl 2-[1-oxo-3-thioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]acetate?
The molecular formula of ethyl 2-[1-oxo-3-thioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]acetate is C15H16N2O3S.
What is the molecular weight of ethyl 2-[1-oxo-3-thioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]acetate?
The molecular weight of ethyl 2-[1-oxo-3-thioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]acetate is 304.09 g/mol.
Where can I buy ethyl 2-[1-oxo-3-thioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]acetate?
You can request a quote for ethyl 2-[1-oxo-3-thioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-[1-oxo-3-thioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[1-oxo-3-thioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.