2-(4-Tert-butylphenyl)-2-oxoethyl quinoline-2-carboxylate
TL;DR: 2-(4-Tert-butylphenyl)-2-oxoethyl quinoline-2-carboxylate (CAS 431883-94-2) is a chemical compound with molecular formula C22H21NO3 and molecular weight 347.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-tert-butylphenyl)-2-oxoethyl] quinoline-2-carboxylate
Also Known As: AB01276928-01, 2-(4-tert-butylphenyl)-2-oxoethyl quinoline-2-carboxylate, [2-(4-tert-butylphenyl)-2-oxoethyl] quinoline-2-carboxylate, 2-(4-(tert-butyl)phenyl)-2-oxoethyl quinoline-2-carboxylate
| Molecular Formula | C22H21NO3 |
|---|---|
| Molecular Weight | 347.15 g/mol |
| LogP | 4.572 |
| Topological Polar Surface Area | 56.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.15213 |
| Heavy Atoms | 26 |
| Complexity | 953.0333 |
Chemical Identifiers
| CAS Number | 431883-94-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)COC(=O)C2=NC3=CC=CC=C3C=C2 |
Product Overview
2-(4-Tert-butylphenyl)-2-oxoethyl quinoline-2-carboxylate (CAS 431883-94-2), with molecular formula C22H21NO3 and molecular weight 347.15 g/mol. IUPAC: [2-(4-tert-butylphenyl)-2-oxoethyl] quinoline-2-carboxylate.
Chemical Property Profile of 2-(4-Tert-butylphenyl)-2-oxoethyl quinoline-2-carboxylate
Property Insights of 2-(4-Tert-butylphenyl)-2-oxoethyl quinoline-2-carboxylate
The XLogP value of 4.572 indicates that 2-(4-Tert-butylphenyl)-2-oxoethyl quinoline-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.26 Ų, 2-(4-Tert-butylphenyl)-2-oxoethyl quinoline-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Tert-butylphenyl)-2-oxoethyl quinoline-2-carboxylate has 0 hydrogen bond donor(s) and 4 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 2-(4-Tert-butylphenyl)-2-oxoethyl quinoline-2-carboxylate?
The CAS number of 2-(4-Tert-butylphenyl)-2-oxoethyl quinoline-2-carboxylate is 431883-94-2.
What is the molecular formula of 2-(4-Tert-butylphenyl)-2-oxoethyl quinoline-2-carboxylate?
The molecular formula of 2-(4-Tert-butylphenyl)-2-oxoethyl quinoline-2-carboxylate is C22H21NO3.
What is the molecular weight of 2-(4-Tert-butylphenyl)-2-oxoethyl quinoline-2-carboxylate?
The molecular weight of 2-(4-Tert-butylphenyl)-2-oxoethyl quinoline-2-carboxylate is 347.15 g/mol.
Where can I buy 2-(4-Tert-butylphenyl)-2-oxoethyl quinoline-2-carboxylate?
You can request a quote for 2-(4-Tert-butylphenyl)-2-oxoethyl quinoline-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Tert-butylphenyl)-2-oxoethyl quinoline-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Tert-butylphenyl)-2-oxoethyl quinoline-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.