2-Propenoic acid, 3-(1,3-benzodioxol-5-yl)-2-methyl-, 7-nitro-8-quinolinyl ester
TL;DR: 2-Propenoic acid, 3-(1,3-benzodioxol-5-yl)-2-methyl-, 7-nitro-8-quinolinyl ester (CAS 29002-37-7) is a chemical compound with molecular formula C20H14N2O6 and molecular weight 378.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7-nitroquinolin-8-yl) (E)-3-(1,3-benzodioxol-5-yl)-2-methylprop-2-enoate
Also Known As: 7-Nitro-8-quinolinyl 3-(1,3-benzodioxol-5-yl)-2-methyl-2-propenoate, 2-Propenoic acid, 3-(1,3-benzodioxol-5-yl)-2-methyl-, 7-nitro-8-quinolinyl ester, (7-nitroquinolin-8-yl) (E)-3-(1,3-benzodioxol-5-yl)-2-methylprop-2-enoate, RefChem:1064524, BRN 1555808
| Molecular Formula | C20H14N2O6 |
|---|---|
| Molecular Weight | 378.09 g/mol |
| LogP | 3.8806 |
| Topological Polar Surface Area | 100.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 378.08517 |
| Heavy Atoms | 28 |
| Complexity | 1138.7441 |
Chemical Identifiers
| CAS Number | 29002-37-7 |
|---|---|
| SMILES | C/C(=C\C1=CC2=C(C=C1)OCO2)/C(=O)OC3=C(C=CC4=C3N=CC=C4)[N+](=O)[O-] |
Product Overview
2-Propenoic acid, 3-(1,3-benzodioxol-5-yl)-2-methyl-, 7-nitro-8-quinolinyl ester (CAS 29002-37-7), with molecular formula C20H14N2O6 and molecular weight 378.09 g/mol. IUPAC: (7-nitroquinolin-8-yl) (E)-3-(1,3-benzodioxol-5-yl)-2-methylprop-2-enoate.
Chemical Property Profile of 2-Propenoic acid, 3-(1,3-benzodioxol-5-yl)-2-methyl-, 7-nitro-8-quinolinyl ester
Property Insights of 2-Propenoic acid, 3-(1,3-benzodioxol-5-yl)-2-methyl-, 7-nitro-8-quinolinyl ester
The XLogP value of 3.8806 indicates that 2-Propenoic acid, 3-(1,3-benzodioxol-5-yl)-2-methyl-, 7-nitro-8-quinolinyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propenoic acid, 3-(1,3-benzodioxol-5-yl)-2-methyl-, 7-nitro-8-quinolinyl ester. Following Lipinski's Rule of Five, 2-Propenoic acid, 3-(1,3-benzodioxol-5-yl)-2-methyl-, 7-nitro-8-quinolinyl ester has 0 hydrogen bond donor(s) and 7 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, 3-(1,3-benzodioxol-5-yl)-2-methyl-, 7-nitro-8-quinolinyl ester?
The CAS number of 2-Propenoic acid, 3-(1,3-benzodioxol-5-yl)-2-methyl-, 7-nitro-8-quinolinyl ester is 29002-37-7.
What is the molecular formula of 2-Propenoic acid, 3-(1,3-benzodioxol-5-yl)-2-methyl-, 7-nitro-8-quinolinyl ester?
The molecular formula of 2-Propenoic acid, 3-(1,3-benzodioxol-5-yl)-2-methyl-, 7-nitro-8-quinolinyl ester is C20H14N2O6.
What is the molecular weight of 2-Propenoic acid, 3-(1,3-benzodioxol-5-yl)-2-methyl-, 7-nitro-8-quinolinyl ester?
The molecular weight of 2-Propenoic acid, 3-(1,3-benzodioxol-5-yl)-2-methyl-, 7-nitro-8-quinolinyl ester is 378.09 g/mol.
Where can I buy 2-Propenoic acid, 3-(1,3-benzodioxol-5-yl)-2-methyl-, 7-nitro-8-quinolinyl ester?
You can request a quote for 2-Propenoic acid, 3-(1,3-benzodioxol-5-yl)-2-methyl-, 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, 3-(1,3-benzodioxol-5-yl)-2-methyl-, 7-nitro-8-quinolinyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 3-(1,3-benzodioxol-5-yl)-2-methyl-, 7-nitro-8-quinolinyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.