2-Propenoic acid, 2-methyl-3-(2-thienyl)-, 7-nitro-8-quinolinyl ester
TL;DR: 2-Propenoic acid, 2-methyl-3-(2-thienyl)-, 7-nitro-8-quinolinyl ester (CAS 29007-69-0) is a chemical compound with molecular formula C17H12N2O4S and molecular weight 340.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7-nitroquinolin-8-yl) (E)-2-methyl-3-thiophen-2-ylprop-2-enoate
Also Known As: 2-Methyl-3-(2-thienyl)-2-propenoic acid 7-nitro-8-quinolinyl ester, 2-Propenoic acid, 2-methyl-3-(2-thienyl)-, 7-nitro-8-quinolinyl ester, (7-nitroquinolin-8-yl) (E)-2-methyl-3-thiophen-2-ylprop-2-enoate, RefChem:1064512, BRN 1551520
| Molecular Formula | C17H12N2O4S |
|---|---|
| Molecular Weight | 340.05 g/mol |
| LogP | 4.2134 |
| Topological Polar Surface Area | 82.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 340.0518 |
| Heavy Atoms | 24 |
| Complexity | 948.38873 |
Chemical Identifiers
| CAS Number | 29007-69-0 |
|---|---|
| SMILES | C/C(=C\C1=CC=CS1)/C(=O)OC2=C(C=CC3=C2N=CC=C3)[N+](=O)[O-] |
Product Overview
2-Propenoic acid, 2-methyl-3-(2-thienyl)-, 7-nitro-8-quinolinyl ester (CAS 29007-69-0), with molecular formula C17H12N2O4S and molecular weight 340.05 g/mol. IUPAC: (7-nitroquinolin-8-yl) (E)-2-methyl-3-thiophen-2-ylprop-2-enoate.
Chemical Property Profile of 2-Propenoic acid, 2-methyl-3-(2-thienyl)-, 7-nitro-8-quinolinyl ester
Property Insights of 2-Propenoic acid, 2-methyl-3-(2-thienyl)-, 7-nitro-8-quinolinyl ester
The XLogP value of 4.2134 indicates that 2-Propenoic acid, 2-methyl-3-(2-thienyl)-, 7-nitro-8-quinolinyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propenoic acid, 2-methyl-3-(2-thienyl)-, 7-nitro-8-quinolinyl ester. Following Lipinski's Rule of Five, 2-Propenoic acid, 2-methyl-3-(2-thienyl)-, 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-Propenoic acid, 2-methyl-3-(2-thienyl)-, 7-nitro-8-quinolinyl ester?
The CAS number of 2-Propenoic acid, 2-methyl-3-(2-thienyl)-, 7-nitro-8-quinolinyl ester is 29007-69-0.
What is the molecular formula of 2-Propenoic acid, 2-methyl-3-(2-thienyl)-, 7-nitro-8-quinolinyl ester?
The molecular formula of 2-Propenoic acid, 2-methyl-3-(2-thienyl)-, 7-nitro-8-quinolinyl ester is C17H12N2O4S.
What is the molecular weight of 2-Propenoic acid, 2-methyl-3-(2-thienyl)-, 7-nitro-8-quinolinyl ester?
The molecular weight of 2-Propenoic acid, 2-methyl-3-(2-thienyl)-, 7-nitro-8-quinolinyl ester is 340.05 g/mol.
Where can I buy 2-Propenoic acid, 2-methyl-3-(2-thienyl)-, 7-nitro-8-quinolinyl ester?
You can request a quote for 2-Propenoic acid, 2-methyl-3-(2-thienyl)-, 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-Propenoic acid, 2-methyl-3-(2-thienyl)-, 7-nitro-8-quinolinyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 2-methyl-3-(2-thienyl)-, 7-nitro-8-quinolinyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.