methyl 4-(4-fluorophenyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate
TL;DR: methyl 4-(4-fluorophenyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate (CAS 331658-45-8) is a chemical compound with molecular formula C13H13FN2O3 and molecular weight 264.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(4-fluorophenyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate
Also Known As: BAS 00382664, 4-Pyrimidinecarboxylicacid,6- -1,2,3,6-tetrahydro-5-methyl-2-oxo-,methylester, methyl 4-(4-fluorophenyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate, methyl 6-(4-fluorophenyl)-5-methyl-2-oxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylate, 4-Pyrimidinecarboxylic acid, 6-(4-fluorophenyl)-1,2,3,6-tetrahydro-5-methyl-2-oxo-, methyl ester (9CI)
| Molecular Formula | C13H13FN2O3 |
|---|---|
| Molecular Weight | 264.09 g/mol |
| LogP | 1.6266 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 264.09103 |
| Heavy Atoms | 19 |
| Complexity | 551.51166 |
Chemical Identifiers
| CAS Number | 331658-45-8 |
|---|---|
| SMILES | CC1=C(NC(=O)NC1C2=CC=C(C=C2)F)C(=O)OC |
Product Overview
methyl 4-(4-fluorophenyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate (CAS 331658-45-8), with molecular formula C13H13FN2O3 and molecular weight 264.09 g/mol. IUPAC: methyl 4-(4-fluorophenyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate.
Chemical Property Profile of methyl 4-(4-fluorophenyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate
Property Insights of methyl 4-(4-fluorophenyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate
The XLogP value of 1.6266 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-(4-fluorophenyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(4-fluorophenyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate. Following Lipinski's Rule of Five, methyl 4-(4-fluorophenyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-6-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 methyl 4-(4-fluorophenyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate?
The CAS number of methyl 4-(4-fluorophenyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate is 331658-45-8.
What is the molecular formula of methyl 4-(4-fluorophenyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate?
The molecular formula of methyl 4-(4-fluorophenyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate is C13H13FN2O3.
What is the molecular weight of methyl 4-(4-fluorophenyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate?
The molecular weight of methyl 4-(4-fluorophenyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate is 264.09 g/mol.
Where can I buy methyl 4-(4-fluorophenyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate?
You can request a quote for methyl 4-(4-fluorophenyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-(4-fluorophenyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(4-fluorophenyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.