(5-Chloroquinolin-8-yl) 4-tert-butylbenzoate
TL;DR: (5-Chloroquinolin-8-yl) 4-tert-butylbenzoate (CAS 385786-23-2) is a chemical compound with molecular formula C20H18ClNO2 and molecular weight 339.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-chloroquinolin-8-yl) 4-tert-butylbenzoate
Also Known As: (5-chloroquinolin-8-yl) 4-tert-butylbenzoate, 5-chloro-8-quinolinyl 4-tert-butylbenzoate, 5-chloroquinolin-8-yl 4-tert-butylbenzoate, 5-Chloro-8-quinolinyl 4-(1,1-dimethylethyl)benzoate, 5-chloro-8-quinolyl 4-(tert-butyl)benzoate
| Molecular Formula | C20H18ClNO2 |
|---|---|
| Molecular Weight | 339.10 g/mol |
| LogP | 5.4049 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 339.1026 |
| Heavy Atoms | 24 |
| Complexity | 895.65106 |
Chemical Identifiers
| CAS Number | 385786-23-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=C3C(=C(C=C2)Cl)C=CC=N3 |
Product Overview
(5-Chloroquinolin-8-yl) 4-tert-butylbenzoate (CAS 385786-23-2), with molecular formula C20H18ClNO2 and molecular weight 339.10 g/mol. IUPAC: (5-chloroquinolin-8-yl) 4-tert-butylbenzoate.
Chemical Property Profile of (5-Chloroquinolin-8-yl) 4-tert-butylbenzoate
Property Insights of (5-Chloroquinolin-8-yl) 4-tert-butylbenzoate
The XLogP value of 5.4049 indicates that (5-Chloroquinolin-8-yl) 4-tert-butylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.19 Ų, (5-Chloroquinolin-8-yl) 4-tert-butylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5-Chloroquinolin-8-yl) 4-tert-butylbenzoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (5-Chloroquinolin-8-yl) 4-tert-butylbenzoate?
The CAS number of (5-Chloroquinolin-8-yl) 4-tert-butylbenzoate is 385786-23-2.
What is the molecular formula of (5-Chloroquinolin-8-yl) 4-tert-butylbenzoate?
The molecular formula of (5-Chloroquinolin-8-yl) 4-tert-butylbenzoate is C20H18ClNO2.
What is the molecular weight of (5-Chloroquinolin-8-yl) 4-tert-butylbenzoate?
The molecular weight of (5-Chloroquinolin-8-yl) 4-tert-butylbenzoate is 339.10 g/mol.
Where can I buy (5-Chloroquinolin-8-yl) 4-tert-butylbenzoate?
You can request a quote for (5-Chloroquinolin-8-yl) 4-tert-butylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-Chloroquinolin-8-yl) 4-tert-butylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for (5-Chloroquinolin-8-yl) 4-tert-butylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.