Methyl 1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylate
TL;DR: Methyl 1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylate (CAS 6153-44-2) is a chemical compound with molecular formula C6H6N2O4 and molecular weight 170.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,4-dioxo-1H-pyrimidine-6-carboxylate
Also Known As: Methyl orotate, Orotic acid methyl ester, Methylorotate, methyl 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate, 6-Carbomethyoxyuracil
| Molecular Formula | C6H6N2O4 |
|---|---|
| Molecular Weight | 170.03 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.03276 |
| Heavy Atoms | 12 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 6153-44-2 |
|---|---|
| SMILES | COC(=O)C1=CC(=O)NC(=O)N1 |
| InChIKey | UUTDWTOZAWFKFW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylate (CAS 6153-44-2), with molecular formula C6H6N2O4 and molecular weight 170.03 g/mol. IUPAC: methyl 2,4-dioxo-1H-pyrimidine-6-carboxylate.
Chemical Property Profile of Methyl 1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylate
Property Insights of Methyl 1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylate
The XLogP value of -0.9 indicates that Methyl 1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylate 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 1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylate. Following Lipinski's Rule of Five, Methyl 1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylate has 2 hydrogen bond donor(s) and 4 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 1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylate?
The CAS number of Methyl 1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylate is 6153-44-2.
What is the molecular formula of Methyl 1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylate?
The molecular formula of Methyl 1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylate is C6H6N2O4.
What is the molecular weight of Methyl 1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylate?
The molecular weight of Methyl 1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylate is 170.03 g/mol.
Where can I buy Methyl 1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylate?
You can request a quote for Methyl 1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.