1,2-Dihydro-2-(2-thienylsulfonyl)-1-isoquinolineacetic acid
TL;DR: 1,2-Dihydro-2-(2-thienylsulfonyl)-1-isoquinolineacetic acid (CAS 893723-34-7) is a chemical compound with molecular formula C15H13NO4S2 and molecular weight 335.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-thiophen-2-ylsulfonyl-1H-isoquinolin-1-yl)acetic acid
Also Known As: 1,2-Dihydro-2-(2-thienylsulfonyl)-1-isoquinolineacetic acid, 2-(2-thiophen-2-ylsulfonyl-1H-isoquinolin-1-yl)acetic Acid, [2-(Thiophene-2-sulfonyl)-1,2-dihydroisoquinolin-1-yl]acetic acid
| Molecular Formula | C15H13NO4S2 |
|---|---|
| Molecular Weight | 335.03 g/mol |
| LogP | 2.9391 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 335.0286 |
| Heavy Atoms | 22 |
| Complexity | 824.9872 |
Chemical Identifiers
| CAS Number | 893723-34-7 |
|---|---|
| SMILES | C1=CC=C2C(N(C=CC2=C1)S(=O)(=O)C3=CC=CS3)CC(=O)O |
Product Overview
1,2-Dihydro-2-(2-thienylsulfonyl)-1-isoquinolineacetic acid (CAS 893723-34-7), with molecular formula C15H13NO4S2 and molecular weight 335.03 g/mol. IUPAC: 2-(2-thiophen-2-ylsulfonyl-1H-isoquinolin-1-yl)acetic acid.
Chemical Property Profile of 1,2-Dihydro-2-(2-thienylsulfonyl)-1-isoquinolineacetic acid
Property Insights of 1,2-Dihydro-2-(2-thienylsulfonyl)-1-isoquinolineacetic acid
The XLogP value of 2.9391 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Dihydro-2-(2-thienylsulfonyl)-1-isoquinolineacetic acid. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Dihydro-2-(2-thienylsulfonyl)-1-isoquinolineacetic acid. Following Lipinski's Rule of Five, 1,2-Dihydro-2-(2-thienylsulfonyl)-1-isoquinolineacetic acid has 1 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 1,2-Dihydro-2-(2-thienylsulfonyl)-1-isoquinolineacetic acid?
The CAS number of 1,2-Dihydro-2-(2-thienylsulfonyl)-1-isoquinolineacetic acid is 893723-34-7.
What is the molecular formula of 1,2-Dihydro-2-(2-thienylsulfonyl)-1-isoquinolineacetic acid?
The molecular formula of 1,2-Dihydro-2-(2-thienylsulfonyl)-1-isoquinolineacetic acid is C15H13NO4S2.
What is the molecular weight of 1,2-Dihydro-2-(2-thienylsulfonyl)-1-isoquinolineacetic acid?
The molecular weight of 1,2-Dihydro-2-(2-thienylsulfonyl)-1-isoquinolineacetic acid is 335.03 g/mol.
Where can I buy 1,2-Dihydro-2-(2-thienylsulfonyl)-1-isoquinolineacetic acid?
You can request a quote for 1,2-Dihydro-2-(2-thienylsulfonyl)-1-isoquinolineacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Dihydro-2-(2-thienylsulfonyl)-1-isoquinolineacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Dihydro-2-(2-thienylsulfonyl)-1-isoquinolineacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.