Benzoic acid, 2,5-dimethoxy-, 7-nitro-8-quinolyl ester
TL;DR: Benzoic acid, 2,5-dimethoxy-, 7-nitro-8-quinolyl ester (CAS 29007-63-4) is a chemical compound with molecular formula C18H14N2O6 and molecular weight 354.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7-nitroquinolin-8-yl) 2,5-dimethoxybenzoate
Also Known As: 2,5-Dimethoxybenzoic acid 7-nitro-8-quinolyl ester, 8-Quinolinol, 7-nitro-, 2,5-dimethoxybenzoate, BENZOIC ACID, 2,5-DIMETHOXY-, 7-NITRO-8-QUINOLYL ESTER, (7-nitroquinolin-8-yl) 2,5-dimethoxybenzoate, 7-Nitro-8-quinolyl=2,5-dimethoxybenzoate
| Molecular Formula | C18H14N2O6 |
|---|---|
| Molecular Weight | 354.09 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 354.08517 |
| Heavy Atoms | 26 |
| Complexity | 510.0 |
Chemical Identifiers
| CAS Number | 29007-63-4 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)C(=O)OC2=C(C=CC3=C2N=CC=C3)[N+](=O)[O-] |
| InChIKey | PJSFGVDJGGZXJV-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 2,5-dimethoxy-, 7-nitro-8-quinolyl ester (CAS 29007-63-4), with molecular formula C18H14N2O6 and molecular weight 354.09 g/mol. IUPAC: (7-nitroquinolin-8-yl) 2,5-dimethoxybenzoate.
Chemical Property Profile of Benzoic acid, 2,5-dimethoxy-, 7-nitro-8-quinolyl ester
Property Insights of Benzoic acid, 2,5-dimethoxy-, 7-nitro-8-quinolyl ester
The XLogP value of 3.4 indicates that Benzoic acid, 2,5-dimethoxy-, 7-nitro-8-quinolyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2,5-dimethoxy-, 7-nitro-8-quinolyl ester. Following Lipinski's Rule of Five, Benzoic acid, 2,5-dimethoxy-, 7-nitro-8-quinolyl 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 Benzoic acid, 2,5-dimethoxy-, 7-nitro-8-quinolyl ester?
The CAS number of Benzoic acid, 2,5-dimethoxy-, 7-nitro-8-quinolyl ester is 29007-63-4.
What is the molecular formula of Benzoic acid, 2,5-dimethoxy-, 7-nitro-8-quinolyl ester?
The molecular formula of Benzoic acid, 2,5-dimethoxy-, 7-nitro-8-quinolyl ester is C18H14N2O6.
What is the molecular weight of Benzoic acid, 2,5-dimethoxy-, 7-nitro-8-quinolyl ester?
The molecular weight of Benzoic acid, 2,5-dimethoxy-, 7-nitro-8-quinolyl ester is 354.09 g/mol.
Where can I buy Benzoic acid, 2,5-dimethoxy-, 7-nitro-8-quinolyl ester?
You can request a quote for Benzoic acid, 2,5-dimethoxy-, 7-nitro-8-quinolyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2,5-dimethoxy-, 7-nitro-8-quinolyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2,5-dimethoxy-, 7-nitro-8-quinolyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.