4-(2-Furyl)-2-mercapto-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
TL;DR: 4-(2-Furyl)-2-mercapto-6-oxo-1,6-dihydropyrimidine-5-carbonitrile (CAS 137446-90-3) is a chemical compound with molecular formula C9H5N3O2S and molecular weight 219.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(furan-2-yl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile
Also Known As: 4-(furan-2-yl)-6-oxo-2-sulfanyl-1,6-dihydropyrimidine-5-carbonitrile, 4-(2-furyl)-2-mercapto-6-oxo-1,6-dihydropyrimidine-5-carbonitrile, 6-(furan-2-yl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile, AE-842/04159045, AI-060/36098003
| Molecular Formula | C9H5N3O2S |
|---|---|
| Molecular Weight | 219.01 g/mol |
| LogP | 1.56417 |
| Topological Polar Surface Area | 85.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 219.01025 |
| Heavy Atoms | 15 |
| Complexity | 630.60754 |
Chemical Identifiers
| CAS Number | 137446-90-3 |
|---|---|
| SMILES | C1=COC(=C1)C2=C(C(=O)NC(=S)N2)C#N |
Product Overview
4-(2-Furyl)-2-mercapto-6-oxo-1,6-dihydropyrimidine-5-carbonitrile (CAS 137446-90-3), with molecular formula C9H5N3O2S and molecular weight 219.01 g/mol. IUPAC: 6-(furan-2-yl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile.
Chemical Property Profile of 4-(2-Furyl)-2-mercapto-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
Property Insights of 4-(2-Furyl)-2-mercapto-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
The XLogP value of 1.56417 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Furyl)-2-mercapto-6-oxo-1,6-dihydropyrimidine-5-carbonitrile. The TPSA of 85.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Furyl)-2-mercapto-6-oxo-1,6-dihydropyrimidine-5-carbonitrile. Following Lipinski's Rule of Five, 4-(2-Furyl)-2-mercapto-6-oxo-1,6-dihydropyrimidine-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 4-(2-Furyl)-2-mercapto-6-oxo-1,6-dihydropyrimidine-5-carbonitrile?
The CAS number of 4-(2-Furyl)-2-mercapto-6-oxo-1,6-dihydropyrimidine-5-carbonitrile is 137446-90-3.
What is the molecular formula of 4-(2-Furyl)-2-mercapto-6-oxo-1,6-dihydropyrimidine-5-carbonitrile?
The molecular formula of 4-(2-Furyl)-2-mercapto-6-oxo-1,6-dihydropyrimidine-5-carbonitrile is C9H5N3O2S.
What is the molecular weight of 4-(2-Furyl)-2-mercapto-6-oxo-1,6-dihydropyrimidine-5-carbonitrile?
The molecular weight of 4-(2-Furyl)-2-mercapto-6-oxo-1,6-dihydropyrimidine-5-carbonitrile is 219.01 g/mol.
Where can I buy 4-(2-Furyl)-2-mercapto-6-oxo-1,6-dihydropyrimidine-5-carbonitrile?
You can request a quote for 4-(2-Furyl)-2-mercapto-6-oxo-1,6-dihydropyrimidine-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Furyl)-2-mercapto-6-oxo-1,6-dihydropyrimidine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Furyl)-2-mercapto-6-oxo-1,6-dihydropyrimidine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.