1-(4-Methylphenyl)-1-oxopropan-2-yl quinoline-2-carboxylate
TL;DR: 1-(4-Methylphenyl)-1-oxopropan-2-yl quinoline-2-carboxylate (CAS 433955-86-3) is a chemical compound with molecular formula C20H17NO3 and molecular weight 319.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(4-methylphenyl)-1-oxopropan-2-yl] quinoline-2-carboxylate
Also Known As: BAS 04999578, 1-(4-methylphenyl)-1-oxopropan-2-yl quinoline-2-carboxylate, AB01303174-01, [1-(4-methylphenyl)-1-oxopropan-2-yl] quinoline-2-carboxylate, 1-methyl-2-(4-methylphenyl)-2-oxoethyl 2-quinolinecarboxylate
| Molecular Formula | C20H17NO3 |
|---|---|
| Molecular Weight | 319.12 g/mol |
| LogP | 3.97142 |
| Topological Polar Surface Area | 56.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.12085 |
| Heavy Atoms | 24 |
| Complexity | 900.1608 |
Chemical Identifiers
| CAS Number | 433955-86-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=NC3=CC=CC=C3C=C2 |
Product Overview
1-(4-Methylphenyl)-1-oxopropan-2-yl quinoline-2-carboxylate (CAS 433955-86-3), with molecular formula C20H17NO3 and molecular weight 319.12 g/mol. IUPAC: [1-(4-methylphenyl)-1-oxopropan-2-yl] quinoline-2-carboxylate.
Chemical Property Profile of 1-(4-Methylphenyl)-1-oxopropan-2-yl quinoline-2-carboxylate
Property Insights of 1-(4-Methylphenyl)-1-oxopropan-2-yl quinoline-2-carboxylate
The XLogP value of 3.97142 indicates that 1-(4-Methylphenyl)-1-oxopropan-2-yl 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, 1-(4-Methylphenyl)-1-oxopropan-2-yl quinoline-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Methylphenyl)-1-oxopropan-2-yl 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 1-(4-Methylphenyl)-1-oxopropan-2-yl quinoline-2-carboxylate?
The CAS number of 1-(4-Methylphenyl)-1-oxopropan-2-yl quinoline-2-carboxylate is 433955-86-3.
What is the molecular formula of 1-(4-Methylphenyl)-1-oxopropan-2-yl quinoline-2-carboxylate?
The molecular formula of 1-(4-Methylphenyl)-1-oxopropan-2-yl quinoline-2-carboxylate is C20H17NO3.
What is the molecular weight of 1-(4-Methylphenyl)-1-oxopropan-2-yl quinoline-2-carboxylate?
The molecular weight of 1-(4-Methylphenyl)-1-oxopropan-2-yl quinoline-2-carboxylate is 319.12 g/mol.
Where can I buy 1-(4-Methylphenyl)-1-oxopropan-2-yl quinoline-2-carboxylate?
You can request a quote for 1-(4-Methylphenyl)-1-oxopropan-2-yl 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 1-(4-Methylphenyl)-1-oxopropan-2-yl quinoline-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Methylphenyl)-1-oxopropan-2-yl quinoline-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.