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2-[2-(Benzenesulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetic acid
TL;DR: 2-[2-(Benzenesulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetic acid (CAS 329905-83-1) is a chemical compound with molecular formula C17H17NO4S and molecular weight 331.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid
Also Known As: 2-[2-(benzenesulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetic acid, (2-Benzenesulfonyl-1,2,3,4-tetrahydro-isoquinolin-1-yl)-acetic acid, 2-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid, [2-(phenylsulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetic acid, 2-(2-(Phenylsulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid
| Molecular Formula | C17H17NO4S |
|---|---|
| Molecular Weight | 331.09 g/mol |
| LogP | 2.4494 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.08783 |
| Heavy Atoms | 23 |
| Complexity | 817.4968 |
Chemical Identifiers
| CAS Number | 329905-83-1 |
|---|---|
| SMILES | C1CN(C(C2=CC=CC=C21)CC(=O)O)S(=O)(=O)C3=CC=CC=C3 |
Product Overview
2-[2-(Benzenesulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetic acid (CAS 329905-83-1), with molecular formula C17H17NO4S and molecular weight 331.09 g/mol. IUPAC: 2-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid.
Chemical Property Profile of 2-[2-(Benzenesulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetic acid
Property Insights of 2-[2-(Benzenesulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetic acid
The XLogP value of 2.4494 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[2-(Benzenesulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetic acid. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-(Benzenesulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetic acid. Following Lipinski's Rule of Five, 2-[2-(Benzenesulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetic 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 2-[2-(Benzenesulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetic acid?
The CAS number of 2-[2-(Benzenesulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetic acid is 329905-83-1.
What is the molecular formula of 2-[2-(Benzenesulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetic acid?
The molecular formula of 2-[2-(Benzenesulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetic acid is C17H17NO4S.
What is the molecular weight of 2-[2-(Benzenesulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetic acid?
The molecular weight of 2-[2-(Benzenesulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetic acid is 331.09 g/mol.
Where can I buy 2-[2-(Benzenesulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetic acid?
You can request a quote for 2-[2-(Benzenesulfonyl)-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-(Benzenesulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(Benzenesulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.