Flupropacil
TL;DR: Flupropacil (CAS 120890-70-2) is a chemical compound with molecular formula C16H14ClF3N2O4 and molecular weight 390.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-chloro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]benzoate
Also Known As: Flupropacil, Flupropacil [ISO], propan-2-yl 2-chloro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]benzoate, propan-2-yl 2-chloro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidi n-1-yl]benzoate, 1-METHYLETHYL 2-CHLORO-5-(3,6-DIHYDRO-3-METHYL-2,6-DIOXO-4-(TRIFLUOROMETHYL)-1(2H)-PYRIMIDINYL)BENZOATE
| Molecular Formula | C16H14ClF3N2O4 |
|---|---|
| Molecular Weight | 390.06 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 66.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 390.05942 |
| Heavy Atoms | 26 |
| Complexity | 635.0 |
Chemical Identifiers
| CAS Number | 120890-70-2 |
|---|---|
| SMILES | CC(C)OC(=O)C1=C(C=CC(=C1)N2C(=O)C=C(N(C2=O)C)C(F)(F)F)Cl |
| InChIKey | OYJMHAFVOZPIOY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Flupropacil (CAS 120890-70-2), with molecular formula C16H14ClF3N2O4 and molecular weight 390.06 g/mol. IUPAC: propan-2-yl 2-chloro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]benzoate.
Chemical Property Profile of Flupropacil
Property Insights of Flupropacil
The XLogP value of 3.1 indicates that Flupropacil is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Flupropacil. Following Lipinski's Rule of Five, Flupropacil has 0 hydrogen bond donor(s) and 7 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 Flupropacil?
The CAS number of Flupropacil is 120890-70-2.
What is the molecular formula of Flupropacil?
The molecular formula of Flupropacil is C16H14ClF3N2O4.
What is the molecular weight of Flupropacil?
The molecular weight of Flupropacil is 390.06 g/mol.
Where can I buy Flupropacil?
You can request a quote for Flupropacil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Flupropacil?
Yes, KEHONG BIO provides custom synthesis services for Flupropacil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.