6-Oxo-1,6-dihydro-pyrimidine-5-carboxylic acid ethyl ester
TL;DR: 6-Oxo-1,6-dihydro-pyrimidine-5-carboxylic acid ethyl ester (CAS 4786-52-1) is a chemical compound with molecular formula C7H8N2O3 and molecular weight 168.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-oxo-1H-pyrimidine-5-carboxylate
Also Known As: ethyl 4-hydroxypyrimidine-5-carboxylate, ethyl 6-oxo-1,6-dihydropyrimidine-5-carboxylate, H-Ala-?-Ala-OH, Ethyl 4-hydroxy-5-pyrimidinecarboxylate, 3-Methoxy-2-nitroaniline
| Molecular Formula | C7H8N2O3 |
|---|---|
| Molecular Weight | 168.05 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 168.0535 |
| Heavy Atoms | 12 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 4786-52-1 |
|---|---|
| SMILES | CCOC(=O)C1=CN=CNC1=O |
| InChIKey | PLMIZYMXBHSARX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Oxo-1,6-dihydro-pyrimidine-5-carboxylic acid ethyl ester (CAS 4786-52-1), with molecular formula C7H8N2O3 and molecular weight 168.05 g/mol. IUPAC: ethyl 6-oxo-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of 6-Oxo-1,6-dihydro-pyrimidine-5-carboxylic acid ethyl ester
Property Insights of 6-Oxo-1,6-dihydro-pyrimidine-5-carboxylic acid ethyl ester
The XLogP value of -0.3 indicates that 6-Oxo-1,6-dihydro-pyrimidine-5-carboxylic acid ethyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Oxo-1,6-dihydro-pyrimidine-5-carboxylic acid ethyl ester. Following Lipinski's Rule of Five, 6-Oxo-1,6-dihydro-pyrimidine-5-carboxylic acid ethyl ester has 1 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 6-Oxo-1,6-dihydro-pyrimidine-5-carboxylic acid ethyl ester?
The CAS number of 6-Oxo-1,6-dihydro-pyrimidine-5-carboxylic acid ethyl ester is 4786-52-1.
What is the molecular formula of 6-Oxo-1,6-dihydro-pyrimidine-5-carboxylic acid ethyl ester?
The molecular formula of 6-Oxo-1,6-dihydro-pyrimidine-5-carboxylic acid ethyl ester is C7H8N2O3.
What is the molecular weight of 6-Oxo-1,6-dihydro-pyrimidine-5-carboxylic acid ethyl ester?
The molecular weight of 6-Oxo-1,6-dihydro-pyrimidine-5-carboxylic acid ethyl ester is 168.05 g/mol.
Where can I buy 6-Oxo-1,6-dihydro-pyrimidine-5-carboxylic acid ethyl ester?
You can request a quote for 6-Oxo-1,6-dihydro-pyrimidine-5-carboxylic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Oxo-1,6-dihydro-pyrimidine-5-carboxylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 6-Oxo-1,6-dihydro-pyrimidine-5-carboxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.