Methyl 5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate
TL;DR: Methyl 5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate (CAS 1996-54-9) is a chemical compound with molecular formula C6H5FN2O4 and molecular weight 188.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxylate
Also Known As: Methyl-5-fluoroorotate, 5-Fluoroorotic acid methyl ester, Orotic acid, methyl ester, methyl 5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate, NCIOpen2_000214
| Molecular Formula | C6H5FN2O4 |
|---|---|
| Molecular Weight | 188.02 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 188.02333 |
| Heavy Atoms | 13 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 1996-54-9 |
|---|---|
| SMILES | COC(=O)C1=C(C(=O)NC(=O)N1)F |
| InChIKey | HVRPGESTLCRKKH-UHFFFAOYSA-N |
Product Overview
Methyl 5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate (CAS 1996-54-9), with molecular formula C6H5FN2O4 and molecular weight 188.02 g/mol. IUPAC: methyl 5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxylate.
Chemical Property Profile of Methyl 5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate
Property Insights of Methyl 5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate
The XLogP value of -0.6 indicates that Methyl 5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate. Following Lipinski's Rule of Five, Methyl 5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate 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 Methyl 5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate?
The CAS number of Methyl 5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate is 1996-54-9.
What is the molecular formula of Methyl 5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate?
The molecular formula of Methyl 5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate is C6H5FN2O4.
What is the molecular weight of Methyl 5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate?
The molecular weight of Methyl 5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate is 188.02 g/mol.
Where can I buy Methyl 5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate?
You can request a quote for Methyl 5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.