2-(Tert-butyl)quinolin-4-amine 2-chloro-5-nitrobenzoate
TL;DR: 2-(Tert-butyl)quinolin-4-amine 2-chloro-5-nitrobenzoate (CAS 297758-53-3) is a chemical compound with molecular formula C20H20ClN3O4 and molecular weight 401.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butylquinolin-4-amine;2-chloro-5-nitrobenzoic acid
Also Known As: 2-(tert-butyl)quinolin-4-amine 2-chloro-5-nitrobenzoate, 2-tert-butylquinolin-4-amine; 2-chloro-5-nitrobenzoic acid
| Molecular Formula | C20H20ClN3O4 |
|---|---|
| Molecular Weight | 401.11 g/mol |
| LogP | 5.0609 |
| Topological Polar Surface Area | 119.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 401.11423 |
| Heavy Atoms | 28 |
| Complexity | 1045.2905 |
Chemical Identifiers
| CAS Number | 297758-53-3 |
|---|---|
| SMILES | CC(C)(C)C1=NC2=CC=CC=C2C(=C1)N.C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Cl |
Product Overview
2-(Tert-butyl)quinolin-4-amine 2-chloro-5-nitrobenzoate (CAS 297758-53-3), with molecular formula C20H20ClN3O4 and molecular weight 401.11 g/mol. IUPAC: 2-tert-butylquinolin-4-amine;2-chloro-5-nitrobenzoic acid.
Chemical Property Profile of 2-(Tert-butyl)quinolin-4-amine 2-chloro-5-nitrobenzoate
Property Insights of 2-(Tert-butyl)quinolin-4-amine 2-chloro-5-nitrobenzoate
The XLogP value of 5.0609 indicates that 2-(Tert-butyl)quinolin-4-amine 2-chloro-5-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Tert-butyl)quinolin-4-amine 2-chloro-5-nitrobenzoate. Following Lipinski's Rule of Five, 2-(Tert-butyl)quinolin-4-amine 2-chloro-5-nitrobenzoate has 2 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 2-(Tert-butyl)quinolin-4-amine 2-chloro-5-nitrobenzoate?
The CAS number of 2-(Tert-butyl)quinolin-4-amine 2-chloro-5-nitrobenzoate is 297758-53-3.
What is the molecular formula of 2-(Tert-butyl)quinolin-4-amine 2-chloro-5-nitrobenzoate?
The molecular formula of 2-(Tert-butyl)quinolin-4-amine 2-chloro-5-nitrobenzoate is C20H20ClN3O4.
What is the molecular weight of 2-(Tert-butyl)quinolin-4-amine 2-chloro-5-nitrobenzoate?
The molecular weight of 2-(Tert-butyl)quinolin-4-amine 2-chloro-5-nitrobenzoate is 401.11 g/mol.
Where can I buy 2-(Tert-butyl)quinolin-4-amine 2-chloro-5-nitrobenzoate?
You can request a quote for 2-(Tert-butyl)quinolin-4-amine 2-chloro-5-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Tert-butyl)quinolin-4-amine 2-chloro-5-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Tert-butyl)quinolin-4-amine 2-chloro-5-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.