1-Naphthalenecarboxylic acid, 7-nitro-8-quinolinyl ester
TL;DR: 1-Naphthalenecarboxylic acid, 7-nitro-8-quinolinyl ester (CAS 29007-37-2) is a chemical compound with molecular formula C20H12N2O4 and molecular weight 344.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7-nitroquinolin-8-yl) naphthalene-1-carboxylate
Also Known As: 7-Nitro-8-quinolinyl 1-naphthalenecarboxylate, 1-Naphthalenecarboxylic acid, 7-nitro-8-quinolinyl ester, (7-nitroquinolin-8-yl) naphthalene-1-carboxylate, 7-NITROQUINOLIN-8-YL NAPHTHALENE-1-CARBOXYLATE, BRN 1550728
| Molecular Formula | C20H12N2O4 |
|---|---|
| Molecular Weight | 344.08 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 85.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 344.0797 |
| Heavy Atoms | 26 |
| Complexity | 534.0 |
Chemical Identifiers
| CAS Number | 29007-37-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2C(=O)OC3=C(C=CC4=C3N=CC=C4)[N+](=O)[O-] |
| InChIKey | HUGMXYVQEPCDGX-UHFFFAOYSA-N |
Product Overview
1-Naphthalenecarboxylic acid, 7-nitro-8-quinolinyl ester (CAS 29007-37-2), with molecular formula C20H12N2O4 and molecular weight 344.08 g/mol. IUPAC: (7-nitroquinolin-8-yl) naphthalene-1-carboxylate.
Chemical Property Profile of 1-Naphthalenecarboxylic acid, 7-nitro-8-quinolinyl ester
Property Insights of 1-Naphthalenecarboxylic acid, 7-nitro-8-quinolinyl ester
The XLogP value of 4.7 indicates that 1-Naphthalenecarboxylic acid, 7-nitro-8-quinolinyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Naphthalenecarboxylic acid, 7-nitro-8-quinolinyl ester. Following Lipinski's Rule of Five, 1-Naphthalenecarboxylic acid, 7-nitro-8-quinolinyl ester has 0 hydrogen bond donor(s) and 5 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 1-Naphthalenecarboxylic acid, 7-nitro-8-quinolinyl ester?
The CAS number of 1-Naphthalenecarboxylic acid, 7-nitro-8-quinolinyl ester is 29007-37-2.
What is the molecular formula of 1-Naphthalenecarboxylic acid, 7-nitro-8-quinolinyl ester?
The molecular formula of 1-Naphthalenecarboxylic acid, 7-nitro-8-quinolinyl ester is C20H12N2O4.
What is the molecular weight of 1-Naphthalenecarboxylic acid, 7-nitro-8-quinolinyl ester?
The molecular weight of 1-Naphthalenecarboxylic acid, 7-nitro-8-quinolinyl ester is 344.08 g/mol.
Where can I buy 1-Naphthalenecarboxylic acid, 7-nitro-8-quinolinyl ester?
You can request a quote for 1-Naphthalenecarboxylic 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 1-Naphthalenecarboxylic acid, 7-nitro-8-quinolinyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1-Naphthalenecarboxylic acid, 7-nitro-8-quinolinyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.