![(1S,4r)-4-((3-((S)-1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamido)methyl)cyclohexanecarboxylic acid structure](/static/products/117/1173676-67-9.png)
(1S,4r)-4-((3-((S)-1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamido)methyl)cyclohexanecarboxylic acid
TL;DR: (1S,4r)-4-((3-((S)-1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamido)methyl)cyclohexanecarboxylic acid (CAS 1173676-67-9) is a chemical compound with molecular formula C22H27N3O5 and molecular weight 413.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[3-[(10aS)-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]propanoylamino]methyl]cyclohexane-1-carboxylic acid
Also Known As: (1S,4r)-4-((3-((S)-1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamido)methyl)cyclohexanecarboxylic acid, 4-[[3-[(10aS)-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]propanoylamino]methyl]cyclohexane-1-carboxylic acid
| Molecular Formula | C22H27N3O5 |
|---|---|
| Molecular Weight | 413.20 g/mol |
| LogP | 1.7728 |
| Topological Polar Surface Area | 107.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 413.19507 |
| Heavy Atoms | 30 |
| Complexity | 819.0839 |
Chemical Identifiers
| CAS Number | 1173676-67-9 |
|---|---|
| SMILES | C1CC(CCC1CNC(=O)CCN2C(=O)[C@@H]3CC4=CC=CC=C4CN3C2=O)C(=O)O |
Product Overview
(1S,4r)-4-((3-((S)-1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamido)methyl)cyclohexanecarboxylic acid (CAS 1173676-67-9), with molecular formula C22H27N3O5 and molecular weight 413.20 g/mol. IUPAC: 4-[[3-[(10aS)-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]propanoylamino]methyl]cyclohexane-1-carboxylic acid.
Chemical Property Profile of (1S,4r)-4-((3-((S)-1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamido)methyl)cyclohexanecarboxylic acid
Property Insights of (1S,4r)-4-((3-((S)-1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamido)methyl)cyclohexanecarboxylic acid
The XLogP value of 1.7728 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1S,4r)-4-((3-((S)-1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamido)methyl)cyclohexanecarboxylic acid. The TPSA of 107.02 Ų falls within the moderate polarity range, balancing permeability and solubility for (1S,4r)-4-((3-((S)-1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamido)methyl)cyclohexanecarboxylic acid. Following Lipinski's Rule of Five, (1S,4r)-4-((3-((S)-1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamido)methyl)cyclohexanecarboxylic acid has 2 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 (1S,4r)-4-((3-((S)-1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamido)methyl)cyclohexanecarboxylic acid?
The CAS number of (1S,4r)-4-((3-((S)-1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamido)methyl)cyclohexanecarboxylic acid is 1173676-67-9.
What is the molecular formula of (1S,4r)-4-((3-((S)-1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamido)methyl)cyclohexanecarboxylic acid?
The molecular formula of (1S,4r)-4-((3-((S)-1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamido)methyl)cyclohexanecarboxylic acid is C22H27N3O5.
What is the molecular weight of (1S,4r)-4-((3-((S)-1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamido)methyl)cyclohexanecarboxylic acid?
The molecular weight of (1S,4r)-4-((3-((S)-1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamido)methyl)cyclohexanecarboxylic acid is 413.20 g/mol.
Where can I buy (1S,4r)-4-((3-((S)-1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamido)methyl)cyclohexanecarboxylic acid?
You can request a quote for (1S,4r)-4-((3-((S)-1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamido)methyl)cyclohexanecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1S,4r)-4-((3-((S)-1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamido)methyl)cyclohexanecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (1S,4r)-4-((3-((S)-1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamido)methyl)cyclohexanecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.