Benzoic acid, 4-(1,1-dimethylethyl)-, 7-nitro-8-quinolinyl ester
TL;DR: Benzoic acid, 4-(1,1-dimethylethyl)-, 7-nitro-8-quinolinyl ester (CAS 29007-25-8) is a chemical compound with molecular formula C20H18N2O4 and molecular weight 350.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7-nitroquinolin-8-yl) 4-tert-butylbenzoate
Also Known As: 8-Quinolinol, 7-nitro-, 4-(1,1-dimethylethyl)benzoate, Benzoic acid, 4-(1,1-dimethylethyl)-, 7-nitro-8-quinolinyl ester, (7-nitroquinolin-8-yl) 4-tert-butylbenzoate, 7-NITROQUINOLIN-8-YL 4-TERT-BUTYLBENZOATE, BRN 1551477
| Molecular Formula | C20H18N2O4 |
|---|---|
| Molecular Weight | 350.13 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 85.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 350.12665 |
| Heavy Atoms | 26 |
| Complexity | 517.0 |
Chemical Identifiers
| CAS Number | 29007-25-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=C(C=CC3=C2N=CC=C3)[N+](=O)[O-] |
| InChIKey | PUXRCNPDZCNYOX-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 4-(1,1-dimethylethyl)-, 7-nitro-8-quinolinyl ester (CAS 29007-25-8), with molecular formula C20H18N2O4 and molecular weight 350.13 g/mol. IUPAC: (7-nitroquinolin-8-yl) 4-tert-butylbenzoate.
Chemical Property Profile of Benzoic acid, 4-(1,1-dimethylethyl)-, 7-nitro-8-quinolinyl ester
Property Insights of Benzoic acid, 4-(1,1-dimethylethyl)-, 7-nitro-8-quinolinyl ester
The XLogP value of 5.1 indicates that Benzoic acid, 4-(1,1-dimethylethyl)-, 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 Benzoic acid, 4-(1,1-dimethylethyl)-, 7-nitro-8-quinolinyl ester. Following Lipinski's Rule of Five, Benzoic acid, 4-(1,1-dimethylethyl)-, 7-nitro-8-quinolinyl ester has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoic acid, 4-(1,1-dimethylethyl)-, 7-nitro-8-quinolinyl ester?
The CAS number of Benzoic acid, 4-(1,1-dimethylethyl)-, 7-nitro-8-quinolinyl ester is 29007-25-8.
What is the molecular formula of Benzoic acid, 4-(1,1-dimethylethyl)-, 7-nitro-8-quinolinyl ester?
The molecular formula of Benzoic acid, 4-(1,1-dimethylethyl)-, 7-nitro-8-quinolinyl ester is C20H18N2O4.
What is the molecular weight of Benzoic acid, 4-(1,1-dimethylethyl)-, 7-nitro-8-quinolinyl ester?
The molecular weight of Benzoic acid, 4-(1,1-dimethylethyl)-, 7-nitro-8-quinolinyl ester is 350.13 g/mol.
Where can I buy Benzoic acid, 4-(1,1-dimethylethyl)-, 7-nitro-8-quinolinyl ester?
You can request a quote for Benzoic acid, 4-(1,1-dimethylethyl)-, 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, 4-(1,1-dimethylethyl)-, 7-nitro-8-quinolinyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-(1,1-dimethylethyl)-, 7-nitro-8-quinolinyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.