Methyl 5-fluoro-4-methoxy-2,6-dioxohexahydro-5-pyrimidinecarboxylate
TL;DR: Methyl 5-fluoro-4-methoxy-2,6-dioxohexahydro-5-pyrimidinecarboxylate (CAS 65905-96-6) is a chemical compound with molecular formula C7H9FN2O5 and molecular weight 220.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-fluoro-4-methoxy-2,6-dioxo-1,3-diazinane-5-carboxylate
Also Known As: NCI60_003382, Methyl 5-fluoro-4-methoxy-2,6-dioxohexahydro-5-pyrimidinecarboxylate, 5-Pyrimidinecarboxylic acid,6-dioxo-, methyl ester, methyl 5-fluoro-4-methoxy-2,6-dioxo-1,3-diazinane-5-carboxylate, methyl 5-fluoro-4-methoxy-2,6-dioxo-hexahydropyrimidine-5-carboxylate
| Molecular Formula | C7H9FN2O5 |
|---|---|
| Molecular Weight | 220.05 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 93.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 220.04955 |
| Heavy Atoms | 15 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 65905-96-6 |
|---|---|
| SMILES | COC1C(C(=O)NC(=O)N1)(C(=O)OC)F |
| InChIKey | CMZYDQKKDNXWKW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 5-fluoro-4-methoxy-2,6-dioxohexahydro-5-pyrimidinecarboxylate (CAS 65905-96-6), with molecular formula C7H9FN2O5 and molecular weight 220.05 g/mol. IUPAC: methyl 5-fluoro-4-methoxy-2,6-dioxo-1,3-diazinane-5-carboxylate.
Chemical Property Profile of Methyl 5-fluoro-4-methoxy-2,6-dioxohexahydro-5-pyrimidinecarboxylate
Property Insights of Methyl 5-fluoro-4-methoxy-2,6-dioxohexahydro-5-pyrimidinecarboxylate
The XLogP value of -0.7 indicates that Methyl 5-fluoro-4-methoxy-2,6-dioxohexahydro-5-pyrimidinecarboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 93.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-fluoro-4-methoxy-2,6-dioxohexahydro-5-pyrimidinecarboxylate. Following Lipinski's Rule of Five, Methyl 5-fluoro-4-methoxy-2,6-dioxohexahydro-5-pyrimidinecarboxylate has 2 hydrogen bond donor(s) and 6 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-4-methoxy-2,6-dioxohexahydro-5-pyrimidinecarboxylate?
The CAS number of Methyl 5-fluoro-4-methoxy-2,6-dioxohexahydro-5-pyrimidinecarboxylate is 65905-96-6.
What is the molecular formula of Methyl 5-fluoro-4-methoxy-2,6-dioxohexahydro-5-pyrimidinecarboxylate?
The molecular formula of Methyl 5-fluoro-4-methoxy-2,6-dioxohexahydro-5-pyrimidinecarboxylate is C7H9FN2O5.
What is the molecular weight of Methyl 5-fluoro-4-methoxy-2,6-dioxohexahydro-5-pyrimidinecarboxylate?
The molecular weight of Methyl 5-fluoro-4-methoxy-2,6-dioxohexahydro-5-pyrimidinecarboxylate is 220.05 g/mol.
Where can I buy Methyl 5-fluoro-4-methoxy-2,6-dioxohexahydro-5-pyrimidinecarboxylate?
You can request a quote for Methyl 5-fluoro-4-methoxy-2,6-dioxohexahydro-5-pyrimidinecarboxylate 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-4-methoxy-2,6-dioxohexahydro-5-pyrimidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-fluoro-4-methoxy-2,6-dioxohexahydro-5-pyrimidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.