1-(2-Hydroxyethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
TL;DR: 1-(2-Hydroxyethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile (CAS 98279-84-6) is a chemical compound with molecular formula C7H7N3O3 and molecular weight 181.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-hydroxyethyl)-2,4-dioxopyrimidine-5-carbonitrile
Also Known As: 1-(2-hydroxyethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile, NCIOpen2_000291, 1-(2-hydroxyethyl)-2,4-dioxopyrimidine-5-carbonitrile, 1F-905, 1-(2-hydroxyethyl)-2,4-dioxo-pyrimidine-5-carbonitrile
| Molecular Formula | C7H7N3O3 |
|---|---|
| Molecular Weight | 181.05 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 93.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 181.04874 |
| Heavy Atoms | 13 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 98279-84-6 |
|---|---|
| SMILES | C1=C(C(=O)NC(=O)N1CCO)C#N |
| InChIKey | BDWWKLPBKZASIC-UHFFFAOYSA-N |
Product Overview
1-(2-Hydroxyethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile (CAS 98279-84-6), with molecular formula C7H7N3O3 and molecular weight 181.05 g/mol. IUPAC: 1-(2-hydroxyethyl)-2,4-dioxopyrimidine-5-carbonitrile.
Chemical Property Profile of 1-(2-Hydroxyethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
Property Insights of 1-(2-Hydroxyethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
The XLogP value of -1.5 indicates that 1-(2-Hydroxyethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 93.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Hydroxyethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile. Following Lipinski's Rule of Five, 1-(2-Hydroxyethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile 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 1-(2-Hydroxyethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile?
The CAS number of 1-(2-Hydroxyethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile is 98279-84-6.
What is the molecular formula of 1-(2-Hydroxyethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile?
The molecular formula of 1-(2-Hydroxyethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile is C7H7N3O3.
What is the molecular weight of 1-(2-Hydroxyethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile?
The molecular weight of 1-(2-Hydroxyethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile is 181.05 g/mol.
Where can I buy 1-(2-Hydroxyethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile?
You can request a quote for 1-(2-Hydroxyethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Hydroxyethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Hydroxyethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.