6-(4-Ethoxyphenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
TL;DR: 6-(4-Ethoxyphenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile (CAS 331003-64-6) is a chemical compound with molecular formula C13H11N3O2S and molecular weight 273.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-ethoxyphenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile
Also Known As: BAS 00331446, F0913-2704, 6-(4-ethoxyphenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile, 6-(4-ethoxyphenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile, 4-(4-ethoxyphenyl)-6-hydroxy-2-sulfanylpyrimidine-5-carbonitrile
| Molecular Formula | C13H11N3O2S |
|---|---|
| Molecular Weight | 273.06 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 273.0572 |
| Heavy Atoms | 19 |
| Complexity | 470.0 |
Chemical Identifiers
| CAS Number | 331003-64-6 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2=C(C(=O)NC(=S)N2)C#N |
| InChIKey | AEMVTDYMJXBYBO-UHFFFAOYSA-N |
Product Overview
6-(4-Ethoxyphenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile (CAS 331003-64-6), with molecular formula C13H11N3O2S and molecular weight 273.06 g/mol. IUPAC: 6-(4-ethoxyphenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile.
Chemical Property Profile of 6-(4-Ethoxyphenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
Property Insights of 6-(4-Ethoxyphenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(4-Ethoxyphenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(4-Ethoxyphenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile. Following Lipinski's Rule of Five, 6-(4-Ethoxyphenyl)-4-oxo-2-thioxo-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 6-(4-Ethoxyphenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile?
The CAS number of 6-(4-Ethoxyphenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile is 331003-64-6.
What is the molecular formula of 6-(4-Ethoxyphenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile?
The molecular formula of 6-(4-Ethoxyphenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile is C13H11N3O2S.
What is the molecular weight of 6-(4-Ethoxyphenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile?
The molecular weight of 6-(4-Ethoxyphenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile is 273.06 g/mol.
Where can I buy 6-(4-Ethoxyphenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile?
You can request a quote for 6-(4-Ethoxyphenyl)-4-oxo-2-thioxo-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 6-(4-Ethoxyphenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-(4-Ethoxyphenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.