2-Propenoic acid, 2-methyl-3-(3-nitrophenyl)-, 7-nitro-8-quinolinyl ester
TL;DR: 2-Propenoic acid, 2-methyl-3-(3-nitrophenyl)-, 7-nitro-8-quinolinyl ester (CAS 29002-35-5) is a chemical compound with molecular formula C19H13N3O6 and molecular weight 379.08 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-(3-nitrophenyl)prop-2-enoate
Also Known As: 7-Nitro-8-quinolinyl 2-methyl-3-(3-nitrophenyl)-2-propenoate, 2-Propenoic acid, 2-methyl-3-(3-nitrophenyl)-, 7-nitro-8-quinolinyl ester, (7-nitroquinolin-8-yl) (E)-2-methyl-3-(3-nitrophenyl)prop-2-enoate, RefChem:1064513, BRN 1556154
| Molecular Formula | C19H13N3O6 |
|---|---|
| Molecular Weight | 379.08 g/mol |
| LogP | 4.0601 |
| Topological Polar Surface Area | 125.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 379.08044 |
| Heavy Atoms | 28 |
| Complexity | 1139.472 |
Chemical Identifiers
| CAS Number | 29002-35-5 |
|---|---|
| SMILES | C/C(=C\C1=CC(=CC=C1)[N+](=O)[O-])/C(=O)OC2=C(C=CC3=C2N=CC=C3)[N+](=O)[O-] |
Product Overview
2-Propenoic acid, 2-methyl-3-(3-nitrophenyl)-, 7-nitro-8-quinolinyl ester (CAS 29002-35-5), with molecular formula C19H13N3O6 and molecular weight 379.08 g/mol. IUPAC: (7-nitroquinolin-8-yl) (E)-2-methyl-3-(3-nitrophenyl)prop-2-enoate.
Chemical Property Profile of 2-Propenoic acid, 2-methyl-3-(3-nitrophenyl)-, 7-nitro-8-quinolinyl ester
Property Insights of 2-Propenoic acid, 2-methyl-3-(3-nitrophenyl)-, 7-nitro-8-quinolinyl ester
The XLogP value of 4.0601 indicates that 2-Propenoic acid, 2-methyl-3-(3-nitrophenyl)-, 7-nitro-8-quinolinyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propenoic acid, 2-methyl-3-(3-nitrophenyl)-, 7-nitro-8-quinolinyl ester. Following Lipinski's Rule of Five, 2-Propenoic acid, 2-methyl-3-(3-nitrophenyl)-, 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, 2-methyl-3-(3-nitrophenyl)-, 7-nitro-8-quinolinyl ester?
The CAS number of 2-Propenoic acid, 2-methyl-3-(3-nitrophenyl)-, 7-nitro-8-quinolinyl ester is 29002-35-5.
What is the molecular formula of 2-Propenoic acid, 2-methyl-3-(3-nitrophenyl)-, 7-nitro-8-quinolinyl ester?
The molecular formula of 2-Propenoic acid, 2-methyl-3-(3-nitrophenyl)-, 7-nitro-8-quinolinyl ester is C19H13N3O6.
What is the molecular weight of 2-Propenoic acid, 2-methyl-3-(3-nitrophenyl)-, 7-nitro-8-quinolinyl ester?
The molecular weight of 2-Propenoic acid, 2-methyl-3-(3-nitrophenyl)-, 7-nitro-8-quinolinyl ester is 379.08 g/mol.
Where can I buy 2-Propenoic acid, 2-methyl-3-(3-nitrophenyl)-, 7-nitro-8-quinolinyl ester?
You can request a quote for 2-Propenoic acid, 2-methyl-3-(3-nitrophenyl)-, 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-(3-nitrophenyl)-, 7-nitro-8-quinolinyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 2-methyl-3-(3-nitrophenyl)-, 7-nitro-8-quinolinyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.