3-(2-Thienyl)cinnoline-4-carboxylic acid
TL;DR: 3-(2-Thienyl)cinnoline-4-carboxylic acid (CAS 874772-70-0) is a chemical compound with molecular formula C13H8N2O2S and molecular weight 256.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-thiophen-2-ylcinnoline-4-carboxylic acid
Also Known As: Maybridge3_004207, 3-(2-Thienyl)cinnoline-4-carboxylic acid, 3-(thiophen-2-yl)cinnoline-4-carboxylic acid, 3-thiophen-2-ylcinnoline-4-carboxylic acid, IDI1_015594
| Molecular Formula | C13H8N2O2S |
|---|---|
| Molecular Weight | 256.03 g/mol |
| LogP | 3.0565 |
| Topological Polar Surface Area | 63.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.03064 |
| Heavy Atoms | 18 |
| Complexity | 722.9443 |
Chemical Identifiers
| CAS Number | 874772-70-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(N=N2)C3=CC=CS3)C(=O)O |
Product Overview
3-(2-Thienyl)cinnoline-4-carboxylic acid (CAS 874772-70-0), with molecular formula C13H8N2O2S and molecular weight 256.03 g/mol. IUPAC: 3-thiophen-2-ylcinnoline-4-carboxylic acid.
Chemical Property Profile of 3-(2-Thienyl)cinnoline-4-carboxylic acid
Property Insights of 3-(2-Thienyl)cinnoline-4-carboxylic acid
The XLogP value of 3.0565 indicates that 3-(2-Thienyl)cinnoline-4-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Thienyl)cinnoline-4-carboxylic acid. Following Lipinski's Rule of Five, 3-(2-Thienyl)cinnoline-4-carboxylic 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 3-(2-Thienyl)cinnoline-4-carboxylic acid?
The CAS number of 3-(2-Thienyl)cinnoline-4-carboxylic acid is 874772-70-0.
What is the molecular formula of 3-(2-Thienyl)cinnoline-4-carboxylic acid?
The molecular formula of 3-(2-Thienyl)cinnoline-4-carboxylic acid is C13H8N2O2S.
What is the molecular weight of 3-(2-Thienyl)cinnoline-4-carboxylic acid?
The molecular weight of 3-(2-Thienyl)cinnoline-4-carboxylic acid is 256.03 g/mol.
Where can I buy 3-(2-Thienyl)cinnoline-4-carboxylic acid?
You can request a quote for 3-(2-Thienyl)cinnoline-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Thienyl)cinnoline-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Thienyl)cinnoline-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.