5-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-2-methoxybenzoic acid
TL;DR: 5-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-2-methoxybenzoic acid (CAS 170287-75-9) is a chemical compound with molecular formula C17H17NO5S and molecular weight 347.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxybenzoic acid
Also Known As: IFLab1_003902, 5-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-2-methoxybenzoic acid, 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxybenzoic acid, 2-methoxy-5-(2-1,2,3,4-tetrahydroisoquinolylsulfonyl)benzoic acid, 5-(3,4-Dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxybenzoic acid
| Molecular Formula | C17H17NO5S |
|---|---|
| Molecular Weight | 347.08 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 92.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.08273 |
| Heavy Atoms | 24 |
| Complexity | 558.0 |
Chemical Identifiers
| CAS Number | 170287-75-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2)C(=O)O |
| InChIKey | ZBNZWZYESIBBIH-UHFFFAOYSA-N |
Product Overview
5-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-2-methoxybenzoic acid (CAS 170287-75-9), with molecular formula C17H17NO5S and molecular weight 347.08 g/mol. IUPAC: 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxybenzoic acid.
Chemical Property Profile of 5-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-2-methoxybenzoic acid
Property Insights of 5-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-2-methoxybenzoic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-2-methoxybenzoic acid. The TPSA of 92.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-2-methoxybenzoic acid. Following Lipinski's Rule of Five, 5-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-2-methoxybenzoic acid has 1 hydrogen bond donor(s) and 6 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 5-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-2-methoxybenzoic acid?
The CAS number of 5-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-2-methoxybenzoic acid is 170287-75-9.
What is the molecular formula of 5-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-2-methoxybenzoic acid?
The molecular formula of 5-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-2-methoxybenzoic acid is C17H17NO5S.
What is the molecular weight of 5-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-2-methoxybenzoic acid?
The molecular weight of 5-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-2-methoxybenzoic acid is 347.08 g/mol.
Where can I buy 5-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-2-methoxybenzoic acid?
You can request a quote for 5-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-2-methoxybenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-2-methoxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-2-methoxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.