![2-[2-(4-Acetamidobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetic acid structure](/static/products/3292/329269-75-2.webp)
2-[2-(4-Acetamidobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetic acid
TL;DR: 2-[2-(4-Acetamidobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetic acid (CAS 329269-75-2) is a chemical compound with molecular formula C19H20N2O5S and molecular weight 388.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-acetamidophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid
Also Known As: 2-[2-(4-Acetamidobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetic acid, [2-(4-Acetylamino-benzenesulfonyl)-1,2,3,4-tetrahydro-isoquinolin-1-yl]-acetic acid, 2-[2-(4-acetamidophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetic Acid, 2-(2-((4-Acetamidophenyl)sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid, 2-[2-(4-Acetamidobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]aceticacid
| Molecular Formula | C19H20N2O5S |
|---|---|
| Molecular Weight | 388.11 g/mol |
| LogP | 2.4078 |
| Topological Polar Surface Area | 103.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 388.10928 |
| Heavy Atoms | 27 |
| Complexity | 969.8495 |
Chemical Identifiers
| CAS Number | 329269-75-2 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2CC(=O)O |
Product Overview
2-[2-(4-Acetamidobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetic acid (CAS 329269-75-2), with molecular formula C19H20N2O5S and molecular weight 388.11 g/mol. IUPAC: 2-[2-(4-acetamidophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid.
Chemical Property Profile of 2-[2-(4-Acetamidobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetic acid
Property Insights of 2-[2-(4-Acetamidobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetic acid
The XLogP value of 2.4078 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[2-(4-Acetamidobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetic acid. The TPSA of 103.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-(4-Acetamidobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetic acid. Following Lipinski's Rule of Five, 2-[2-(4-Acetamidobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]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 2-[2-(4-Acetamidobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetic acid?
The CAS number of 2-[2-(4-Acetamidobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetic acid is 329269-75-2.
What is the molecular formula of 2-[2-(4-Acetamidobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetic acid?
The molecular formula of 2-[2-(4-Acetamidobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetic acid is C19H20N2O5S.
What is the molecular weight of 2-[2-(4-Acetamidobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetic acid?
The molecular weight of 2-[2-(4-Acetamidobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetic acid is 388.11 g/mol.
Where can I buy 2-[2-(4-Acetamidobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetic acid?
You can request a quote for 2-[2-(4-Acetamidobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-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 2-[2-(4-Acetamidobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(4-Acetamidobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.