![(S)-N-(2-chlorobenzyl)-3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamide structure](/static/products/117/1173677-18-3.webp)
(S)-N-(2-chlorobenzyl)-3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamide
TL;DR: (S)-N-(2-chlorobenzyl)-3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamide (CAS 1173677-18-3) is a chemical compound with molecular formula C21H20ClN3O3 and molecular weight 397.11932 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(10aS)-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]-N-[(2-chlorophenyl)methyl]propanamide
Also Known As: (S)-N-(2-chlorobenzyl)-3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamide, 3-[(10aS)-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]-N-[(2-chlorophenyl)methyl]propanamide, N-(2-chlorobenzyl)-3-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]propanamide
Technical Specifications
| Molecular Formula | C21H20ClN3O3 |
| Molecular Weight | 397.11932 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 69.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 397.11932 Da |
| Heavy Atoms | 28 |
| Complexity | 628.0 |
| SMILES | C1[C@H]2C(=O)N(C(=O)N2CC3=CC=CC=C31)CCC(=O)NCC4=CC=CC=C4Cl |
| InChIKey | KLBSAFBDTLQIJL-SFHVURJKSA-N |
Chemical Property Profile of (S)-N-(2-chlorobenzyl)-3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamide
Property Insights of (S)-N-(2-chlorobenzyl)-3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamide
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-N-(2-chlorobenzyl)-3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamide. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-N-(2-chlorobenzyl)-3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamide. Following Lipinski's Rule of Five, (S)-N-(2-chlorobenzyl)-3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (S)-N-(2-chlorobenzyl)-3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamide?
The CAS number of (S)-N-(2-chlorobenzyl)-3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamide is 1173677-18-3.
What is the molecular formula of (S)-N-(2-chlorobenzyl)-3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamide?
The molecular formula of (S)-N-(2-chlorobenzyl)-3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamide is C21H20ClN3O3.
What is the molecular weight of (S)-N-(2-chlorobenzyl)-3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamide?
The molecular weight of (S)-N-(2-chlorobenzyl)-3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamide is 397.11932 g/mol.
Where can I buy (S)-N-(2-chlorobenzyl)-3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamide?
You can request a quote for (S)-N-(2-chlorobenzyl)-3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (S)-N-(2-chlorobenzyl)-3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamide?
Yes, CoreyChem provides custom synthesis services for (S)-N-(2-chlorobenzyl)-3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.