benzyl 4-(2-chloro-6-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
TL;DR: benzyl 4-(2-chloro-6-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (CAS 435290-35-0) is a chemical compound with molecular formula C19H16ClFN2O3 and molecular weight 374.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 4-(2-chloro-6-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: benzyl 4-(2-chloro-6-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, benzyl 4-(2-chloro-6-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
| Molecular Formula | C19H16ClFN2O3 |
|---|---|
| Molecular Weight | 374.08 g/mol |
| LogP | 3.8504 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 374.08334 |
| Heavy Atoms | 26 |
| Complexity | 863.3579 |
Chemical Identifiers
| CAS Number | 435290-35-0 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1)C2=C(C=CC=C2Cl)F)C(=O)OCC3=CC=CC=C3 |
Product Overview
benzyl 4-(2-chloro-6-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (CAS 435290-35-0), with molecular formula C19H16ClFN2O3 and molecular weight 374.08 g/mol. IUPAC: benzyl 4-(2-chloro-6-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of benzyl 4-(2-chloro-6-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Property Insights of benzyl 4-(2-chloro-6-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
The XLogP value of 3.8504 indicates that benzyl 4-(2-chloro-6-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for benzyl 4-(2-chloro-6-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate. Following Lipinski's Rule of Five, benzyl 4-(2-chloro-6-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate 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 benzyl 4-(2-chloro-6-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
The CAS number of benzyl 4-(2-chloro-6-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate is 435290-35-0.
What is the molecular formula of benzyl 4-(2-chloro-6-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
The molecular formula of benzyl 4-(2-chloro-6-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate is C19H16ClFN2O3.
What is the molecular weight of benzyl 4-(2-chloro-6-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
The molecular weight of benzyl 4-(2-chloro-6-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate is 374.08 g/mol.
Where can I buy benzyl 4-(2-chloro-6-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
You can request a quote for benzyl 4-(2-chloro-6-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for benzyl 4-(2-chloro-6-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for benzyl 4-(2-chloro-6-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.