![[4-[(4-ethylpiperazin-1-yl)sulfonyl]-1-oxoisoquinolin-2(1H)-yl]acetic acid structure](/static/products/1024/1024083-52-0.webp)
[4-[(4-ethylpiperazin-1-yl)sulfonyl]-1-oxoisoquinolin-2(1H)-yl]acetic acid
TL;DR: [4-[(4-ethylpiperazin-1-yl)sulfonyl]-1-oxoisoquinolin-2(1H)-yl]acetic acid (CAS 1024083-52-0) is a chemical compound with molecular formula C17H21N3O5S and molecular weight 379.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(4-ethylpiperazin-1-yl)sulfonyl-1-oxoisoquinolin-2-yl]acetic acid
Also Known As: [4-[(4-ethylpiperazin-1-yl)sulfonyl]-1-oxoisoquinolin-2(1H)-yl]acetic acid|2-[4-(4-ethylpiperazin-1-yl)sulfonyl-1-oxoisoquinolin-2-yl]acetic acid|2-(4-((4-Ethylpiperazin-1-yl)sulfonyl)-1-oxoisoquinolin-2(1H)-yl)acetic acid|[4-(4-ethylpiperazin-1-ylsulfonyl)-1-oxoisoquinolin-2-yl]acetic acid|2-{4-[(4-ethylpiperazin-1-yl)sulfonyl]-1-oxo-1,2-dihydroisoquinolin-2-yl}acetic acid|2-[4-(4-ethylpiperazin-1-yl)sulfonyl-1-oxo-2-isoquinolyl]acetic acid|2-[4-(4-ethylpiperazin-1-yl)sulfonyl-1-oxo-isoquinolin-2-yl]acetic Acid|4-(4-Ethylpiperazin-1-yl)sulfonyl-1-oxoisoquinolin-2(1H)-ylacetic acid|2-(4-((4-Ethylpiperazin-1-yl)sulfonyl)-1-oxoisoquinolin-2(1H)-yl)aceticacid|MFCD05028863|C17H21N3O5S|ALBB-006294
| Molecular Formula | C17H21N3O5S |
|---|---|
| Molecular Weight | 379.12 g/mol |
| LogP | 0.4123 |
| Topological Polar Surface Area | 99.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 379.12018 |
| Heavy Atoms | 26 |
| Complexity | 991.1157 |
Chemical Identifiers
| CAS Number | 1024083-52-0 |
|---|---|
| SMILES | CCN1CCN(CC1)S(=O)(=O)C2=CN(C(=O)C3=CC=CC=C32)CC(=O)O |
Product Overview
[4-[(4-ethylpiperazin-1-yl)sulfonyl]-1-oxoisoquinolin-2(1H)-yl]acetic acid (CAS 1024083-52-0), with molecular formula C17H21N3O5S and molecular weight 379.12 g/mol. IUPAC: 2-[4-(4-ethylpiperazin-1-yl)sulfonyl-1-oxoisoquinolin-2-yl]acetic acid.
Chemical Property Profile of [4-[(4-ethylpiperazin-1-yl)sulfonyl]-1-oxoisoquinolin-2(1H)-yl]acetic acid
Property Insights of [4-[(4-ethylpiperazin-1-yl)sulfonyl]-1-oxoisoquinolin-2(1H)-yl]acetic acid
The XLogP value of 0.4123 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [4-[(4-ethylpiperazin-1-yl)sulfonyl]-1-oxoisoquinolin-2(1H)-yl]acetic acid. The TPSA of 99.92 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-[(4-ethylpiperazin-1-yl)sulfonyl]-1-oxoisoquinolin-2(1H)-yl]acetic acid. Following Lipinski's Rule of Five, [4-[(4-ethylpiperazin-1-yl)sulfonyl]-1-oxoisoquinolin-2(1H)-yl]acetic acid has 1 hydrogen bond donor(s) and 5 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 [4-[(4-ethylpiperazin-1-yl)sulfonyl]-1-oxoisoquinolin-2(1H)-yl]acetic acid?
The CAS number of [4-[(4-ethylpiperazin-1-yl)sulfonyl]-1-oxoisoquinolin-2(1H)-yl]acetic acid is 1024083-52-0.
What is the molecular formula of [4-[(4-ethylpiperazin-1-yl)sulfonyl]-1-oxoisoquinolin-2(1H)-yl]acetic acid?
The molecular formula of [4-[(4-ethylpiperazin-1-yl)sulfonyl]-1-oxoisoquinolin-2(1H)-yl]acetic acid is C17H21N3O5S.
What is the molecular weight of [4-[(4-ethylpiperazin-1-yl)sulfonyl]-1-oxoisoquinolin-2(1H)-yl]acetic acid?
The molecular weight of [4-[(4-ethylpiperazin-1-yl)sulfonyl]-1-oxoisoquinolin-2(1H)-yl]acetic acid is 379.12 g/mol.
Where can I buy [4-[(4-ethylpiperazin-1-yl)sulfonyl]-1-oxoisoquinolin-2(1H)-yl]acetic acid?
You can request a quote for [4-[(4-ethylpiperazin-1-yl)sulfonyl]-1-oxoisoquinolin-2(1H)-yl]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-[(4-ethylpiperazin-1-yl)sulfonyl]-1-oxoisoquinolin-2(1H)-yl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [4-[(4-ethylpiperazin-1-yl)sulfonyl]-1-oxoisoquinolin-2(1H)-yl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.