F0696-0098
TL;DR: F0696-0098 (CAS 863611-08-9) is a chemical compound with molecular formula C19H13ClF3N3O3 and molecular weight 423.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(4-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
Also Known As: F0696-0098, N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(4-methylphenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(4-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide, N-(2-chloro-5-(trifluoromethyl)phenyl)-2,4-dioxo-3-(p-tolyl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(4-methylphenyl)-2,6-dioxo-3H-pyrimidine-5-carboxamide
| Molecular Formula | C19H13ClF3N3O3 |
|---|---|
| Molecular Weight | 423.06 g/mol |
| LogP | 3.75872 |
| Topological Polar Surface Area | 83.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 423.05975 |
| Heavy Atoms | 29 |
| Complexity | 1198.292 |
Chemical Identifiers
| CAS Number | 863611-08-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C(=CNC2=O)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl |
Product Overview
F0696-0098 (CAS 863611-08-9), with molecular formula C19H13ClF3N3O3 and molecular weight 423.06 g/mol. IUPAC: N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(4-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.
Chemical Property Profile of F0696-0098
Property Insights of F0696-0098
The XLogP value of 3.75872 indicates that F0696-0098 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.96 Ų falls within the moderate polarity range, balancing permeability and solubility for F0696-0098. Following Lipinski's Rule of Five, F0696-0098 has 2 hydrogen bond donor(s) and 3 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 F0696-0098?
The CAS number of F0696-0098 is 863611-08-9.
What is the molecular formula of F0696-0098?
The molecular formula of F0696-0098 is C19H13ClF3N3O3.
What is the molecular weight of F0696-0098?
The molecular weight of F0696-0098 is 423.06 g/mol.
Where can I buy F0696-0098?
You can request a quote for F0696-0098 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0696-0098?
Yes, KEHONG BIO provides custom synthesis services for F0696-0098 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.