2-Thiophenecarboxylic acid, 7-nitro-8-quinolinyl ester
TL;DR: 2-Thiophenecarboxylic acid, 7-nitro-8-quinolinyl ester (CAS 29007-35-0) is a chemical compound with molecular formula C14H8N2O4S and molecular weight 300.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7-nitroquinolin-8-yl) thiophene-2-carboxylate
Also Known As: 7-Nitro-8-quinolinyl 2-thiophenecarboxylate, 2-Thiophenecarboxylic acid, 7-nitro-8-quinolinyl ester, (7-nitroquinolin-8-yl) thiophene-2-carboxylate, 7-NITROQUINOLIN-8-YL THIOPHENE-2-CARBOXYLATE, BRN 1547145
| Molecular Formula | C14H8N2O4S |
|---|---|
| Molecular Weight | 300.02 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.02048 |
| Heavy Atoms | 21 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 29007-35-0 |
|---|---|
| SMILES | C1=CC2=C(C(=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC=CS3)N=C1 |
| InChIKey | ZOZBPPUCINAWDN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Thiophenecarboxylic acid, 7-nitro-8-quinolinyl ester (CAS 29007-35-0), with molecular formula C14H8N2O4S and molecular weight 300.02 g/mol. IUPAC: (7-nitroquinolin-8-yl) thiophene-2-carboxylate.
Chemical Property Profile of 2-Thiophenecarboxylic acid, 7-nitro-8-quinolinyl ester
Property Insights of 2-Thiophenecarboxylic acid, 7-nitro-8-quinolinyl ester
The XLogP value of 3.4 indicates that 2-Thiophenecarboxylic acid, 7-nitro-8-quinolinyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Thiophenecarboxylic acid, 7-nitro-8-quinolinyl ester. Following Lipinski's Rule of Five, 2-Thiophenecarboxylic acid, 7-nitro-8-quinolinyl ester has 0 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 2-Thiophenecarboxylic acid, 7-nitro-8-quinolinyl ester?
The CAS number of 2-Thiophenecarboxylic acid, 7-nitro-8-quinolinyl ester is 29007-35-0.
What is the molecular formula of 2-Thiophenecarboxylic acid, 7-nitro-8-quinolinyl ester?
The molecular formula of 2-Thiophenecarboxylic acid, 7-nitro-8-quinolinyl ester is C14H8N2O4S.
What is the molecular weight of 2-Thiophenecarboxylic acid, 7-nitro-8-quinolinyl ester?
The molecular weight of 2-Thiophenecarboxylic acid, 7-nitro-8-quinolinyl ester is 300.02 g/mol.
Where can I buy 2-Thiophenecarboxylic acid, 7-nitro-8-quinolinyl ester?
You can request a quote for 2-Thiophenecarboxylic acid, 7-nitro-8-quinolinyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Thiophenecarboxylic acid, 7-nitro-8-quinolinyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Thiophenecarboxylic acid, 7-nitro-8-quinolinyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.