![N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanamide structure](/static/products/4967/496776-97-7.webp)
N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanamide
TL;DR: N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanamide (CAS 496776-97-7) is a chemical compound with molecular formula C19H18N2O5S and molecular weight 386.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(1,1-dioxothiolan-3-yl)propanamide
Also Known As: N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanamide, F1346-0024, 3-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(1,1-dioxothiolan-3-yl)propanamide, N-(1,1-dioxidotetrahydro-3-thienyl)-3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanamide
| Molecular Formula | C19H18N2O5S |
|---|---|
| Molecular Weight | 386.09 g/mol |
| LogP | 1.1292 |
| Topological Polar Surface Area | 100.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 386.09363 |
| Heavy Atoms | 27 |
| Complexity | 1025.9465 |
Chemical Identifiers
| CAS Number | 496776-97-7 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1NC(=O)CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O |
Product Overview
N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanamide (CAS 496776-97-7), with molecular formula C19H18N2O5S and molecular weight 386.09 g/mol. IUPAC: 3-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(1,1-dioxothiolan-3-yl)propanamide.
Chemical Property Profile of N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanamide
Property Insights of N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanamide
The XLogP value of 1.1292 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanamide. The TPSA of 100.62 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanamide. Following Lipinski's Rule of Five, N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanamide has 1 hydrogen bond donor(s) and 5 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 N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanamide?
The CAS number of N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanamide is 496776-97-7.
What is the molecular formula of N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanamide?
The molecular formula of N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanamide is C19H18N2O5S.
What is the molecular weight of N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanamide?
The molecular weight of N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanamide is 386.09 g/mol.
Where can I buy N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanamide?
You can request a quote for N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.