5-Cyanouracil
TL;DR: 5-Cyanouracil (CAS 4425-56-3) is a chemical compound with molecular formula C5H3N3O2 and molecular weight 137.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dioxo-1H-pyrimidine-5-carbonitrile
Also Known As: 5-Cyanouracil, 2,4-dihydroxypyrimidine-5-carbonitrile, null, 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile, 5-Cyano uracil
| Molecular Formula | C5H3N3O2 |
|---|---|
| Molecular Weight | 137.02 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 82.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 137.02252 |
| Heavy Atoms | 10 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 4425-56-3 |
|---|---|
| SMILES | C1=C(C(=O)NC(=O)N1)C#N |
| InChIKey | HAUXRJCZDHHADG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Cyanouracil (CAS 4425-56-3), with molecular formula C5H3N3O2 and molecular weight 137.02 g/mol. IUPAC: 2,4-dioxo-1H-pyrimidine-5-carbonitrile.
Chemical Property Profile of 5-Cyanouracil
Property Insights of 5-Cyanouracil
The XLogP value of -0.9 indicates that 5-Cyanouracil is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 82.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Cyanouracil. Following Lipinski's Rule of Five, 5-Cyanouracil has 2 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 5-Cyanouracil?
The CAS number of 5-Cyanouracil is 4425-56-3.
What is the molecular formula of 5-Cyanouracil?
The molecular formula of 5-Cyanouracil is C5H3N3O2.
What is the molecular weight of 5-Cyanouracil?
The molecular weight of 5-Cyanouracil is 137.02 g/mol.
Where can I buy 5-Cyanouracil?
You can request a quote for 5-Cyanouracil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Cyanouracil?
Yes, KEHONG BIO provides custom synthesis services for 5-Cyanouracil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.