ethyl 4-oxo-2,2-bis(trifluoromethyl)-1H-quinazoline-3-carboxylate
TL;DR: ethyl 4-oxo-2,2-bis(trifluoromethyl)-1H-quinazoline-3-carboxylate (CAS 170029-40-0) is a chemical compound with molecular formula C13H10F6N2O3 and molecular weight 356.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-oxo-2,2-bis(trifluoromethyl)-1H-quinazoline-3-carboxylate
Also Known As: ChemDiv3_004416, IDI1_022326, ethyl 4-oxo-2,2-bis(trifluoromethyl)-1H-quinazoline-3-carboxylate, BRD-K37028229-001-01-6, ethyl 4-oxo-2,2-bis(trifluoromethyl)-1,2-dihydroquinazoline-3(4H)-carboxylate
| Molecular Formula | C13H10F6N2O3 |
|---|---|
| Molecular Weight | 356.06 g/mol |
| LogP | 3.5317 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 356.05957 |
| Heavy Atoms | 24 |
| Complexity | 656.40625 |
Chemical Identifiers
| CAS Number | 170029-40-0 |
|---|---|
| SMILES | CCOC(=O)N1C(=O)C2=CC=CC=C2NC1(C(F)(F)F)C(F)(F)F |
Product Overview
ethyl 4-oxo-2,2-bis(trifluoromethyl)-1H-quinazoline-3-carboxylate (CAS 170029-40-0), with molecular formula C13H10F6N2O3 and molecular weight 356.06 g/mol. IUPAC: ethyl 4-oxo-2,2-bis(trifluoromethyl)-1H-quinazoline-3-carboxylate.
Chemical Property Profile of ethyl 4-oxo-2,2-bis(trifluoromethyl)-1H-quinazoline-3-carboxylate
Property Insights of ethyl 4-oxo-2,2-bis(trifluoromethyl)-1H-quinazoline-3-carboxylate
The XLogP value of 3.5317 indicates that ethyl 4-oxo-2,2-bis(trifluoromethyl)-1H-quinazoline-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.64 Ų, ethyl 4-oxo-2,2-bis(trifluoromethyl)-1H-quinazoline-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 4-oxo-2,2-bis(trifluoromethyl)-1H-quinazoline-3-carboxylate has 1 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 ethyl 4-oxo-2,2-bis(trifluoromethyl)-1H-quinazoline-3-carboxylate?
The CAS number of ethyl 4-oxo-2,2-bis(trifluoromethyl)-1H-quinazoline-3-carboxylate is 170029-40-0.
What is the molecular formula of ethyl 4-oxo-2,2-bis(trifluoromethyl)-1H-quinazoline-3-carboxylate?
The molecular formula of ethyl 4-oxo-2,2-bis(trifluoromethyl)-1H-quinazoline-3-carboxylate is C13H10F6N2O3.
What is the molecular weight of ethyl 4-oxo-2,2-bis(trifluoromethyl)-1H-quinazoline-3-carboxylate?
The molecular weight of ethyl 4-oxo-2,2-bis(trifluoromethyl)-1H-quinazoline-3-carboxylate is 356.06 g/mol.
Where can I buy ethyl 4-oxo-2,2-bis(trifluoromethyl)-1H-quinazoline-3-carboxylate?
You can request a quote for ethyl 4-oxo-2,2-bis(trifluoromethyl)-1H-quinazoline-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-oxo-2,2-bis(trifluoromethyl)-1H-quinazoline-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-oxo-2,2-bis(trifluoromethyl)-1H-quinazoline-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.