![(S)-N-cyclooctyl-3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamide structure](/static/products/117/1173676-85-1.png)
(S)-N-cyclooctyl-3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamide
TL;DR: (S)-N-cyclooctyl-3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamide (CAS 1173676-85-1) is a chemical compound with molecular formula C22H29N3O3 and molecular weight 383.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(10aS)-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]-N-cyclooctylpropanamide
Also Known As: (S)-N-cyclooctyl-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-cyclooctylpropanamide, N-cyclooctyl-3-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]propanamide
| Molecular Formula | C22H29N3O3 |
|---|---|
| Molecular Weight | 383.22 g/mol |
| LogP | 2.9947 |
| Topological Polar Surface Area | 69.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 383.2209 |
| Heavy Atoms | 28 |
| Complexity | 712.1488 |
Chemical Identifiers
| CAS Number | 1173676-85-1 |
|---|---|
| SMILES | C1CCCC(CCC1)NC(=O)CCN2C(=O)[C@@H]3CC4=CC=CC=C4CN3C2=O |
Product Overview
(S)-N-cyclooctyl-3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamide (CAS 1173676-85-1), with molecular formula C22H29N3O3 and molecular weight 383.22 g/mol. IUPAC: 3-[(10aS)-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]-N-cyclooctylpropanamide.
Chemical Property Profile of (S)-N-cyclooctyl-3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamide
Property Insights of (S)-N-cyclooctyl-3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamide
The XLogP value of 2.9947 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-N-cyclooctyl-3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamide. The TPSA of 69.72 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-N-cyclooctyl-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-cyclooctyl-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
Frequently Asked Questions
What is the CAS number of (S)-N-cyclooctyl-3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamide?
The CAS number of (S)-N-cyclooctyl-3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamide is 1173676-85-1.
What is the molecular formula of (S)-N-cyclooctyl-3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamide?
The molecular formula of (S)-N-cyclooctyl-3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamide is C22H29N3O3.
What is the molecular weight of (S)-N-cyclooctyl-3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamide?
The molecular weight of (S)-N-cyclooctyl-3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamide is 383.22 g/mol.
Where can I buy (S)-N-cyclooctyl-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-cyclooctyl-3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-N-cyclooctyl-3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for (S)-N-cyclooctyl-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.