F0696-0091
TL;DR: F0696-0091 (CAS 863611-02-3) is a chemical compound with molecular formula C21H19N3O5 and molecular weight 393.13248 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[[3-(4-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]benzoate
Also Known As: F0696-0091, ETHYL 2-[3-(4-METHYLPHENYL)-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-AMIDO]BENZOATE, ethyl 2-(2,4-dioxo-3-(p-tolyl)-1,2,3,4-tetrahydropyrimidine-5-carboxamido)benzoate, Ethyl 2-[[1-(4-methylphenyl)-2,6-dioxo-3H-pyrimidine-5-carbonyl]amino]benzoate, ethyl 2-[[3-(4-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]benzoate
Technical Specifications
| Molecular Formula | C21H19N3O5 |
| Molecular Weight | 393.13248 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 393.13248 Da |
| Heavy Atoms | 29 |
| Complexity | 696.0 |
| SMILES | CCOC(=O)C1=CC=CC=C1NC(=O)C2=CNC(=O)N(C2=O)C3=CC=C(C=C3)C |
| InChIKey | POQMLIUGIFHOEE-UHFFFAOYSA-N |
Chemical Property Profile of F0696-0091
Property Insights of F0696-0091
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0696-0091. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for F0696-0091. Following Lipinski's Rule of Five, F0696-0091 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of F0696-0091?
The CAS number of F0696-0091 is 863611-02-3.
What is the molecular formula of F0696-0091?
The molecular formula of F0696-0091 is C21H19N3O5.
What is the molecular weight of F0696-0091?
The molecular weight of F0696-0091 is 393.13248 g/mol.
Where can I buy F0696-0091?
You can request a quote for F0696-0091 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for F0696-0091?
Yes, CoreyChem provides custom synthesis services for F0696-0091 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.