![(2S)-2-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]-3-phenylpropanoic acid structure](/static/products/956/956686-23-0.png)
(2S)-2-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]-3-phenylpropanoic acid
TL;DR: (2S)-2-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]-3-phenylpropanoic acid (CAS 956686-23-0) is a chemical compound with molecular formula C20H18N2O4 and molecular weight 350.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[(10aS)-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]-3-phenylpropanoic acid
Also Known As: (2S)-2-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]-3-phenylpropanoic acid, (2S)-2-[(10aS)-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]-3-phenylpropanoic acid, (S)-2-((S)-1,3-Dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl)-3-phenylpropanoic acid, (S)-2-((S)-1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)-3-phenylpropanoic acid
| Molecular Formula | C20H18N2O4 |
|---|---|
| Molecular Weight | 350.13 g/mol |
| LogP | 2.0714 |
| Topological Polar Surface Area | 77.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 350.12665 |
| Heavy Atoms | 26 |
| Complexity | 837.3897 |
Chemical Identifiers
| CAS Number | 956686-23-0 |
|---|---|
| SMILES | C1[C@H]2C(=O)N(C(=O)N2CC3=CC=CC=C31)[C@@H](CC4=CC=CC=C4)C(=O)O |
Product Overview
(2S)-2-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]-3-phenylpropanoic acid (CAS 956686-23-0), with molecular formula C20H18N2O4 and molecular weight 350.13 g/mol. IUPAC: (2S)-2-[(10aS)-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]-3-phenylpropanoic acid.
Chemical Property Profile of (2S)-2-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]-3-phenylpropanoic acid
Property Insights of (2S)-2-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]-3-phenylpropanoic acid
The XLogP value of 2.0714 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-2-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]-3-phenylpropanoic acid. The TPSA of 77.92 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-2-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]-3-phenylpropanoic acid. Following Lipinski's Rule of Five, (2S)-2-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]-3-phenylpropanoic acid 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 (2S)-2-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]-3-phenylpropanoic acid?
The CAS number of (2S)-2-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]-3-phenylpropanoic acid is 956686-23-0.
What is the molecular formula of (2S)-2-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]-3-phenylpropanoic acid?
The molecular formula of (2S)-2-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]-3-phenylpropanoic acid is C20H18N2O4.
What is the molecular weight of (2S)-2-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]-3-phenylpropanoic acid?
The molecular weight of (2S)-2-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]-3-phenylpropanoic acid is 350.13 g/mol.
Where can I buy (2S)-2-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]-3-phenylpropanoic acid?
You can request a quote for (2S)-2-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]-3-phenylpropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-2-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]-3-phenylpropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S)-2-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]-3-phenylpropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.