2-Isoquinolylthio-2-phenylacetic acid
TL;DR: 2-Isoquinolylthio-2-phenylacetic acid (CAS 401834-10-4) is a chemical compound with molecular formula C17H13NO2S and molecular weight 295.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-isoquinolin-1-ylsulfanyl-2-phenylacetic acid
Also Known As: 2-isoquinolylthio-2-phenylacetic acid, (isoquinolin-1-ylsulfanyl)(phenyl)acetic acid, (Isoquinolin-1-ylsulfanyl)-phenyl-acetic acid, 2-isoquinolin-1-ylsulfanyl-2-phenylacetic acid, 2-isoquinolin-1-ylsulfanyl-2-phenyl-acetic Acid
| Molecular Formula | C17H13NO2S |
|---|---|
| Molecular Weight | 295.07 g/mol |
| LogP | 4.1528 |
| Topological Polar Surface Area | 50.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.0667 |
| Heavy Atoms | 21 |
| Complexity | 768.6068 |
Chemical Identifiers
| CAS Number | 401834-10-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C(=O)O)SC2=NC=CC3=CC=CC=C32 |
Product Overview
2-Isoquinolylthio-2-phenylacetic acid (CAS 401834-10-4), with molecular formula C17H13NO2S and molecular weight 295.07 g/mol. IUPAC: 2-isoquinolin-1-ylsulfanyl-2-phenylacetic acid.
Chemical Property Profile of 2-Isoquinolylthio-2-phenylacetic acid
Property Insights of 2-Isoquinolylthio-2-phenylacetic acid
The XLogP value of 4.1528 indicates that 2-Isoquinolylthio-2-phenylacetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.19 Ų, 2-Isoquinolylthio-2-phenylacetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Isoquinolylthio-2-phenylacetic 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-Isoquinolylthio-2-phenylacetic acid?
The CAS number of 2-Isoquinolylthio-2-phenylacetic acid is 401834-10-4.
What is the molecular formula of 2-Isoquinolylthio-2-phenylacetic acid?
The molecular formula of 2-Isoquinolylthio-2-phenylacetic acid is C17H13NO2S.
What is the molecular weight of 2-Isoquinolylthio-2-phenylacetic acid?
The molecular weight of 2-Isoquinolylthio-2-phenylacetic acid is 295.07 g/mol.
Where can I buy 2-Isoquinolylthio-2-phenylacetic acid?
You can request a quote for 2-Isoquinolylthio-2-phenylacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Isoquinolylthio-2-phenylacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Isoquinolylthio-2-phenylacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.