![(S)-2-(3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)benzamido)acetic acid structure](/static/products/117/1173676-63-5.png)
(S)-2-(3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)benzamido)acetic acid
TL;DR: (S)-2-(3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)benzamido)acetic acid (CAS 1173676-63-5) is a chemical compound with molecular formula C20H17N3O5 and molecular weight 379.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-[(10aS)-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]benzoyl]amino]acetic acid
Also Known As: (S)-2-(3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)benzamido)acetic acid, 2-[[3-[(10aS)-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]benzoyl]amino]acetic acid, N-({3-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]phenyl}carbonyl)glycine
| Molecular Formula | C20H17N3O5 |
|---|---|
| Molecular Weight | 379.12 g/mol |
| LogP | 1.3945 |
| Topological Polar Surface Area | 107.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 379.11682 |
| Heavy Atoms | 28 |
| Complexity | 959.84064 |
Chemical Identifiers
| CAS Number | 1173676-63-5 |
|---|---|
| SMILES | C1[C@H]2C(=O)N(C(=O)N2CC3=CC=CC=C31)C4=CC=CC(=C4)C(=O)NCC(=O)O |
Product Overview
(S)-2-(3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)benzamido)acetic acid (CAS 1173676-63-5), with molecular formula C20H17N3O5 and molecular weight 379.12 g/mol. IUPAC: 2-[[3-[(10aS)-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]benzoyl]amino]acetic acid.
Chemical Property Profile of (S)-2-(3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)benzamido)acetic acid
Property Insights of (S)-2-(3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)benzamido)acetic acid
The XLogP value of 1.3945 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-2-(3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)benzamido)acetic acid. The TPSA of 107.02 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-2-(3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)benzamido)acetic acid. Following Lipinski's Rule of Five, (S)-2-(3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)benzamido)acetic 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 (S)-2-(3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)benzamido)acetic acid?
The CAS number of (S)-2-(3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)benzamido)acetic acid is 1173676-63-5.
What is the molecular formula of (S)-2-(3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)benzamido)acetic acid?
The molecular formula of (S)-2-(3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)benzamido)acetic acid is C20H17N3O5.
What is the molecular weight of (S)-2-(3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)benzamido)acetic acid?
The molecular weight of (S)-2-(3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)benzamido)acetic acid is 379.12 g/mol.
Where can I buy (S)-2-(3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)benzamido)acetic acid?
You can request a quote for (S)-2-(3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)benzamido)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-2-(3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)benzamido)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-2-(3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)benzamido)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.