1,2,3,6-Tetrahydro-1-(2-hydroxyethyl)-2,6-dioxopyrimidine-4-carboxylic acid
TL;DR: 1,2,3,6-Tetrahydro-1-(2-hydroxyethyl)-2,6-dioxopyrimidine-4-carboxylic acid (CAS 36856-91-4) is a chemical compound with molecular formula C7H8N2O5 and molecular weight 200.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-hydroxyethyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
Also Known As: 2-Bromo-quinoxaline, 3-(2-Hydroxyethyl)orotic acid, Orotic acid, 1-(2-hydroxyethyl)-, 1-(2-hydroxyethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, 1,2,3,6-Tetrahydro-1-(2-hydroxyethyl)-2,6-dioxopyrimidine-4-carboxylic acid
| Molecular Formula | C7H8N2O5 |
|---|---|
| Molecular Weight | 200.04 g/mol |
| LogP | -1.7 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 200.04332 |
| Heavy Atoms | 14 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 36856-91-4 |
|---|---|
| SMILES | C1=C(NC(=O)N(C1=O)CCO)C(=O)O |
| InChIKey | JUYJMQNDFCMXIL-UHFFFAOYSA-N |
Product Overview
1,2,3,6-Tetrahydro-1-(2-hydroxyethyl)-2,6-dioxopyrimidine-4-carboxylic acid (CAS 36856-91-4), with molecular formula C7H8N2O5 and molecular weight 200.04 g/mol. IUPAC: 3-(2-hydroxyethyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid.
Chemical Property Profile of 1,2,3,6-Tetrahydro-1-(2-hydroxyethyl)-2,6-dioxopyrimidine-4-carboxylic acid
Property Insights of 1,2,3,6-Tetrahydro-1-(2-hydroxyethyl)-2,6-dioxopyrimidine-4-carboxylic acid
The XLogP value of -1.7 indicates that 1,2,3,6-Tetrahydro-1-(2-hydroxyethyl)-2,6-dioxopyrimidine-4-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,3,6-Tetrahydro-1-(2-hydroxyethyl)-2,6-dioxopyrimidine-4-carboxylic acid. Following Lipinski's Rule of Five, 1,2,3,6-Tetrahydro-1-(2-hydroxyethyl)-2,6-dioxopyrimidine-4-carboxylic acid has 3 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 1,2,3,6-Tetrahydro-1-(2-hydroxyethyl)-2,6-dioxopyrimidine-4-carboxylic acid?
The CAS number of 1,2,3,6-Tetrahydro-1-(2-hydroxyethyl)-2,6-dioxopyrimidine-4-carboxylic acid is 36856-91-4.
What is the molecular formula of 1,2,3,6-Tetrahydro-1-(2-hydroxyethyl)-2,6-dioxopyrimidine-4-carboxylic acid?
The molecular formula of 1,2,3,6-Tetrahydro-1-(2-hydroxyethyl)-2,6-dioxopyrimidine-4-carboxylic acid is C7H8N2O5.
What is the molecular weight of 1,2,3,6-Tetrahydro-1-(2-hydroxyethyl)-2,6-dioxopyrimidine-4-carboxylic acid?
The molecular weight of 1,2,3,6-Tetrahydro-1-(2-hydroxyethyl)-2,6-dioxopyrimidine-4-carboxylic acid is 200.04 g/mol.
Where can I buy 1,2,3,6-Tetrahydro-1-(2-hydroxyethyl)-2,6-dioxopyrimidine-4-carboxylic acid?
You can request a quote for 1,2,3,6-Tetrahydro-1-(2-hydroxyethyl)-2,6-dioxopyrimidine-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,6-Tetrahydro-1-(2-hydroxyethyl)-2,6-dioxopyrimidine-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,6-Tetrahydro-1-(2-hydroxyethyl)-2,6-dioxopyrimidine-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.