6-Quinazolinecarboxylic acid, 1,2,3,4-tetrahydro-5,7-dimethyl-2,4-dioxo-1-(2-(1-piperidinyl)ethyl)-3-(2-(trifluoromethyl)phenyl)-, ethyl ester
TL;DR: 6-Quinazolinecarboxylic acid, 1,2,3,4-tetrahydro-5,7-dimethyl-2,4-dioxo-1-(2-(1-piperidinyl)ethyl)-3-(2-(trifluoromethyl)phenyl)-, ethyl ester (CAS 81087-72-1) is a chemical compound with molecular formula C27H30F3N3O4 and molecular weight 517.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5,7-dimethyl-2,4-dioxo-1-(2-piperidin-1-ylethyl)-3-[2-(trifluoromethyl)phenyl]quinazoline-6-carboxylate
Also Known As: 6-Quinazolinecarboxylic acid, 1,2,3,4-tetrahydro-5,7-dimethyl-2,4-dioxo-1-(2-(1-piperidinyl)ethyl)-3-(2-(trifluoromethyl)phenyl)-, ethyl ester, 6-ethoxycarbonyl-5,7-dimethyl-1-(2-piperidinoethyl)-3-[2-(trifluoromethyl)phenyl]-2,4(1H,3H)-quinazolinedione, ethyl 5,7-dimethyl-2,4-dioxo-1-(2-piperidin-1-ylethyl)-3-[2-(trifluoromethyl)phenyl]quinazoline-6-carboxylate, Ethyl 5,7-dimethyl-2,4-dioxo-1-[2-(piperidin-1-yl)ethyl]-3-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinazoline-6-carboxylate, RefChem:309378
| Molecular Formula | C27H30F3N3O4 |
|---|---|
| Molecular Weight | 517.22 g/mol |
| LogP | 4.45064 |
| Topological Polar Surface Area | 73.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 517.2188 |
| Heavy Atoms | 37 |
| Complexity | 1450.4878 |
Chemical Identifiers
| CAS Number | 81087-72-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(C=C1C)N(C(=O)N(C2=O)C3=CC=CC=C3C(F)(F)F)CCN4CCCCC4)C |
Product Overview
6-Quinazolinecarboxylic acid, 1,2,3,4-tetrahydro-5,7-dimethyl-2,4-dioxo-1-(2-(1-piperidinyl)ethyl)-3-(2-(trifluoromethyl)phenyl)-, ethyl ester (CAS 81087-72-1), with molecular formula C27H30F3N3O4 and molecular weight 517.22 g/mol. IUPAC: ethyl 5,7-dimethyl-2,4-dioxo-1-(2-piperidin-1-ylethyl)-3-[2-(trifluoromethyl)phenyl]quinazoline-6-carboxylate.
Chemical Property Profile of 6-Quinazolinecarboxylic acid, 1,2,3,4-tetrahydro-5,7-dimethyl-2,4-dioxo-1-(2-(1-piperidinyl)ethyl)-3-(2-(trifluoromethyl)phenyl)-, ethyl ester
Property Insights of 6-Quinazolinecarboxylic acid, 1,2,3,4-tetrahydro-5,7-dimethyl-2,4-dioxo-1-(2-(1-piperidinyl)ethyl)-3-(2-(trifluoromethyl)phenyl)-, ethyl ester
The XLogP value of 4.45064 indicates that 6-Quinazolinecarboxylic acid, 1,2,3,4-tetrahydro-5,7-dimethyl-2,4-dioxo-1-(2-(1-piperidinyl)ethyl)-3-(2-(trifluoromethyl)phenyl)-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Quinazolinecarboxylic acid, 1,2,3,4-tetrahydro-5,7-dimethyl-2,4-dioxo-1-(2-(1-piperidinyl)ethyl)-3-(2-(trifluoromethyl)phenyl)-, ethyl ester. Following Lipinski's Rule of Five, 6-Quinazolinecarboxylic acid, 1,2,3,4-tetrahydro-5,7-dimethyl-2,4-dioxo-1-(2-(1-piperidinyl)ethyl)-3-(2-(trifluoromethyl)phenyl)-, ethyl 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 6-Quinazolinecarboxylic acid, 1,2,3,4-tetrahydro-5,7-dimethyl-2,4-dioxo-1-(2-(1-piperidinyl)ethyl)-3-(2-(trifluoromethyl)phenyl)-, ethyl ester?
The CAS number of 6-Quinazolinecarboxylic acid, 1,2,3,4-tetrahydro-5,7-dimethyl-2,4-dioxo-1-(2-(1-piperidinyl)ethyl)-3-(2-(trifluoromethyl)phenyl)-, ethyl ester is 81087-72-1.
What is the molecular formula of 6-Quinazolinecarboxylic acid, 1,2,3,4-tetrahydro-5,7-dimethyl-2,4-dioxo-1-(2-(1-piperidinyl)ethyl)-3-(2-(trifluoromethyl)phenyl)-, ethyl ester?
The molecular formula of 6-Quinazolinecarboxylic acid, 1,2,3,4-tetrahydro-5,7-dimethyl-2,4-dioxo-1-(2-(1-piperidinyl)ethyl)-3-(2-(trifluoromethyl)phenyl)-, ethyl ester is C27H30F3N3O4.
What is the molecular weight of 6-Quinazolinecarboxylic acid, 1,2,3,4-tetrahydro-5,7-dimethyl-2,4-dioxo-1-(2-(1-piperidinyl)ethyl)-3-(2-(trifluoromethyl)phenyl)-, ethyl ester?
The molecular weight of 6-Quinazolinecarboxylic acid, 1,2,3,4-tetrahydro-5,7-dimethyl-2,4-dioxo-1-(2-(1-piperidinyl)ethyl)-3-(2-(trifluoromethyl)phenyl)-, ethyl ester is 517.22 g/mol.
Where can I buy 6-Quinazolinecarboxylic acid, 1,2,3,4-tetrahydro-5,7-dimethyl-2,4-dioxo-1-(2-(1-piperidinyl)ethyl)-3-(2-(trifluoromethyl)phenyl)-, ethyl ester?
You can request a quote for 6-Quinazolinecarboxylic acid, 1,2,3,4-tetrahydro-5,7-dimethyl-2,4-dioxo-1-(2-(1-piperidinyl)ethyl)-3-(2-(trifluoromethyl)phenyl)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Quinazolinecarboxylic acid, 1,2,3,4-tetrahydro-5,7-dimethyl-2,4-dioxo-1-(2-(1-piperidinyl)ethyl)-3-(2-(trifluoromethyl)phenyl)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 6-Quinazolinecarboxylic acid, 1,2,3,4-tetrahydro-5,7-dimethyl-2,4-dioxo-1-(2-(1-piperidinyl)ethyl)-3-(2-(trifluoromethyl)phenyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.