1-Allyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile
TL;DR: 1-Allyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile (CAS 25855-27-0) is a chemical compound with molecular formula C8H7N3O2 and molecular weight 177.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dioxo-1-prop-2-enylpyrimidine-5-carbonitrile
Also Known As: 1-Allyl-5-cyanouracil, 1-allyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile, 1-Allyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile, 2,4-dioxo-1-prop-2-enylpyrimidine-5-carbonitrile, 8546AD
| Molecular Formula | C8H7N3O2 |
|---|---|
| Molecular Weight | 177.05 g/mol |
| LogP | -0.40572 |
| Topological Polar Surface Area | 78.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 177.05383 |
| Heavy Atoms | 13 |
| Complexity | 475.38812 |
Chemical Identifiers
| CAS Number | 25855-27-0 |
|---|---|
| SMILES | C=CCN1C=C(C(=O)NC1=O)C#N |
Product Overview
1-Allyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile (CAS 25855-27-0), with molecular formula C8H7N3O2 and molecular weight 177.05 g/mol. IUPAC: 2,4-dioxo-1-prop-2-enylpyrimidine-5-carbonitrile.
Chemical Property Profile of 1-Allyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile
Property Insights of 1-Allyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile
The XLogP value of -0.40572 indicates that 1-Allyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Allyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile. Following Lipinski's Rule of Five, 1-Allyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile 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 1-Allyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile?
The CAS number of 1-Allyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile is 25855-27-0.
What is the molecular formula of 1-Allyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile?
The molecular formula of 1-Allyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile is C8H7N3O2.
What is the molecular weight of 1-Allyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile?
The molecular weight of 1-Allyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile is 177.05 g/mol.
Where can I buy 1-Allyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile?
You can request a quote for 1-Allyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Allyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-Allyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.