3-(2,4-Dioxopyrimidin-1-yl)prop-2-enal
TL;DR: 3-(2,4-Dioxopyrimidin-1-yl)prop-2-enal (CAS 86798-57-4) is a chemical compound with molecular formula C7H6N2O3 and molecular weight 166.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,4-dioxopyrimidin-1-yl)prop-2-enal
Also Known As: (2E)-3-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)acrylaldehyde
| Molecular Formula | C7H6N2O3 |
|---|---|
| Molecular Weight | 166.04 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 66.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 166.03784 |
| Heavy Atoms | 12 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 86798-57-4 |
|---|---|
| SMILES | C1=CN(C(=O)NC1=O)C=CC=O |
| InChIKey | HWONZTOPTYHAOP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(2,4-Dioxopyrimidin-1-yl)prop-2-enal (CAS 86798-57-4), with molecular formula C7H6N2O3 and molecular weight 166.04 g/mol. IUPAC: 3-(2,4-dioxopyrimidin-1-yl)prop-2-enal.
Chemical Property Profile of 3-(2,4-Dioxopyrimidin-1-yl)prop-2-enal
Property Insights of 3-(2,4-Dioxopyrimidin-1-yl)prop-2-enal
The XLogP value of -1.2 indicates that 3-(2,4-Dioxopyrimidin-1-yl)prop-2-enal is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2,4-Dioxopyrimidin-1-yl)prop-2-enal. Following Lipinski's Rule of Five, 3-(2,4-Dioxopyrimidin-1-yl)prop-2-enal has 1 hydrogen bond donor(s) and 3 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 3-(2,4-Dioxopyrimidin-1-yl)prop-2-enal?
The CAS number of 3-(2,4-Dioxopyrimidin-1-yl)prop-2-enal is 86798-57-4.
What is the molecular formula of 3-(2,4-Dioxopyrimidin-1-yl)prop-2-enal?
The molecular formula of 3-(2,4-Dioxopyrimidin-1-yl)prop-2-enal is C7H6N2O3.
What is the molecular weight of 3-(2,4-Dioxopyrimidin-1-yl)prop-2-enal?
The molecular weight of 3-(2,4-Dioxopyrimidin-1-yl)prop-2-enal is 166.04 g/mol.
Where can I buy 3-(2,4-Dioxopyrimidin-1-yl)prop-2-enal?
You can request a quote for 3-(2,4-Dioxopyrimidin-1-yl)prop-2-enal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2,4-Dioxopyrimidin-1-yl)prop-2-enal?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,4-Dioxopyrimidin-1-yl)prop-2-enal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.