Benzoic acid, 2-chloro-4-nitro-, 7-nitro-8-quinolinyl ester
TL;DR: Benzoic acid, 2-chloro-4-nitro-, 7-nitro-8-quinolinyl ester (CAS 29007-11-2) is a chemical compound with molecular formula C16H8ClN3O6 and molecular weight 373.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7-nitroquinolin-8-yl) 4-chloro-2-nitrobenzoate
Also Known As: NIOSH/DG5428000, Benzoic acid, 2-chloro-4-nitro-, 7-nitro-8-quinolinyl ester, 7-nitroquinolin-8-yl 4-chloro-2-nitrobenzoate, 8-Quinolinol, 7-nitro-, 2-chloro-4-nitrobenzoate, 7-Nitro-8-quinolyl=4-chloro-2-nitrobenzoate
| Molecular Formula | C16H8ClN3O6 |
|---|---|
| Molecular Weight | 373.01 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 373.01016 |
| Heavy Atoms | 26 |
| Complexity | 565.0 |
Chemical Identifiers
| CAS Number | 29007-11-2 |
|---|---|
| SMILES | C1=CC2=C(C(=C(C=C2)[N+](=O)[O-])OC(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-])N=C1 |
| InChIKey | RNLSOOSYGDYNCW-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 2-chloro-4-nitro-, 7-nitro-8-quinolinyl ester (CAS 29007-11-2), with molecular formula C16H8ClN3O6 and molecular weight 373.01 g/mol. IUPAC: (7-nitroquinolin-8-yl) 4-chloro-2-nitrobenzoate.
Chemical Property Profile of Benzoic acid, 2-chloro-4-nitro-, 7-nitro-8-quinolinyl ester
Property Insights of Benzoic acid, 2-chloro-4-nitro-, 7-nitro-8-quinolinyl ester
The XLogP value of 3.9 indicates that Benzoic acid, 2-chloro-4-nitro-, 7-nitro-8-quinolinyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2-chloro-4-nitro-, 7-nitro-8-quinolinyl ester. Following Lipinski's Rule of Five, Benzoic acid, 2-chloro-4-nitro-, 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 Benzoic acid, 2-chloro-4-nitro-, 7-nitro-8-quinolinyl ester?
The CAS number of Benzoic acid, 2-chloro-4-nitro-, 7-nitro-8-quinolinyl ester is 29007-11-2.
What is the molecular formula of Benzoic acid, 2-chloro-4-nitro-, 7-nitro-8-quinolinyl ester?
The molecular formula of Benzoic acid, 2-chloro-4-nitro-, 7-nitro-8-quinolinyl ester is C16H8ClN3O6.
What is the molecular weight of Benzoic acid, 2-chloro-4-nitro-, 7-nitro-8-quinolinyl ester?
The molecular weight of Benzoic acid, 2-chloro-4-nitro-, 7-nitro-8-quinolinyl ester is 373.01 g/mol.
Where can I buy Benzoic acid, 2-chloro-4-nitro-, 7-nitro-8-quinolinyl ester?
You can request a quote for Benzoic acid, 2-chloro-4-nitro-, 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 Benzoic acid, 2-chloro-4-nitro-, 7-nitro-8-quinolinyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-chloro-4-nitro-, 7-nitro-8-quinolinyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.