![(S)-1-(3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamido)cyclohexanecarboxylic acid structure](/static/products/117/1173684-60-0.webp)
(S)-1-(3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamido)cyclohexanecarboxylic acid
TL;DR: (S)-1-(3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamido)cyclohexanecarboxylic acid (CAS 1173684-60-0) is a chemical compound with molecular formula C21H25N3O5 and molecular weight 399.1794 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[3-[(10aS)-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]propanoylamino]cyclohexane-1-carboxylic acid
Also Known As: (S)-1-(3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamido)cyclohexanecarboxylic acid, 1-({3-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]propanoyl}amino)cyclohexanecarboxylic acid, 1-[3-[(10aS)-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]propanoylamino]cyclohexane-1-carboxylic acid
Technical Specifications
| Molecular Formula | C21H25N3O5 |
| Molecular Weight | 399.1794 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.1794 Da |
| Heavy Atoms | 29 |
| Complexity | 702.0 |
| SMILES | C1CCC(CC1)(C(=O)O)NC(=O)CCN2C(=O)[C@@H]3CC4=CC=CC=C4CN3C2=O |
| InChIKey | UOOJTHWJKZKZPH-INIZCTEOSA-N |
Chemical Property Profile of (S)-1-(3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamido)cyclohexanecarboxylic acid
Property Insights of (S)-1-(3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamido)cyclohexanecarboxylic acid
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-1-(3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamido)cyclohexanecarboxylic acid. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-1-(3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamido)cyclohexanecarboxylic acid. Following Lipinski's Rule of Five, (S)-1-(3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamido)cyclohexanecarboxylic acid has 2 hydrogen bond donor(s) and 5 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)-1-(3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamido)cyclohexanecarboxylic acid?
The CAS number of (S)-1-(3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamido)cyclohexanecarboxylic acid is 1173684-60-0.
What is the molecular formula of (S)-1-(3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamido)cyclohexanecarboxylic acid?
The molecular formula of (S)-1-(3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamido)cyclohexanecarboxylic acid is C21H25N3O5.
What is the molecular weight of (S)-1-(3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamido)cyclohexanecarboxylic acid?
The molecular weight of (S)-1-(3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamido)cyclohexanecarboxylic acid is 399.1794 g/mol.
Where can I buy (S)-1-(3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamido)cyclohexanecarboxylic acid?
You can request a quote for (S)-1-(3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamido)cyclohexanecarboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (S)-1-(3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamido)cyclohexanecarboxylic acid?
Yes, CoreyChem provides custom synthesis services for (S)-1-(3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamido)cyclohexanecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.