F0696-0092
TL;DR: F0696-0092 (CAS 863611-03-4) is a chemical compound with molecular formula C20H17N3O5 and molecular weight 379.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[3-(4-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]benzoate
Also Known As: F0696-0092, methyl 4-(2,4-dioxo-3-(p-tolyl)-1,2,3,4-tetrahydropyrimidine-5-carboxamido)benzoate, methyl 4-[3-(4-methylphenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-amido]benzoate, methyl 4-[[3-(4-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]benzoate, Methyl 4-[[1-(4-methylphenyl)-2,6-dioxo-3H-pyrimidine-5-carbonyl]amino]benzoate
| Molecular Formula | C20H17N3O5 |
|---|---|
| Molecular Weight | 379.12 g/mol |
| LogP | 1.87312 |
| Topological Polar Surface Area | 110.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 379.11682 |
| Heavy Atoms | 28 |
| Complexity | 1142.199 |
Chemical Identifiers
| CAS Number | 863611-03-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C(=CNC2=O)C(=O)NC3=CC=C(C=C3)C(=O)OC |
Product Overview
F0696-0092 (CAS 863611-03-4), with molecular formula C20H17N3O5 and molecular weight 379.12 g/mol. IUPAC: methyl 4-[[3-(4-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]benzoate.
Chemical Property Profile of F0696-0092
Property Insights of F0696-0092
The XLogP value of 1.87312 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0696-0092. The TPSA of 110.26 Ų falls within the moderate polarity range, balancing permeability and solubility for F0696-0092. Following Lipinski's Rule of Five, F0696-0092 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
Frequently Asked Questions
What is the CAS number of F0696-0092?
The CAS number of F0696-0092 is 863611-03-4.
What is the molecular formula of F0696-0092?
The molecular formula of F0696-0092 is C20H17N3O5.
What is the molecular weight of F0696-0092?
The molecular weight of F0696-0092 is 379.12 g/mol.
Where can I buy F0696-0092?
You can request a quote for F0696-0092 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0696-0092?
Yes, KEHONG BIO provides custom synthesis services for F0696-0092 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.