3-(4-Ethoxyphenyl)-6-hydroxy-2-sulfanylidene-2,5-dihydropyrimidin-4(3H)-one
TL;DR: 3-(4-Ethoxyphenyl)-6-hydroxy-2-sulfanylidene-2,5-dihydropyrimidin-4(3H)-one (CAS 923-09-1) is a chemical compound with molecular formula C12H12N2O3S and molecular weight 264.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: 1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione, 1-(p-Ethoxyphenyl)-2-thiobarbituric acid, 1-(4-ethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 1-(4-ethoxyphenyl)-2-thioxodihydro-4,6(1h,5h)-pyrimidinedione, 4,6(1h,5h)-pyrimidinedione, 1-(4-ethoxyphenyl)dihydro-2-thioxo-
| Molecular Formula | C12H12N2O3S |
|---|---|
| Molecular Weight | 264.06 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 90.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 264.05685 |
| Heavy Atoms | 18 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 923-09-1 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=O)CC(=O)NC2=S |
| InChIKey | GYZMDSSTMINRRY-UHFFFAOYSA-N |
Product Overview
3-(4-Ethoxyphenyl)-6-hydroxy-2-sulfanylidene-2,5-dihydropyrimidin-4(3H)-one (CAS 923-09-1), with molecular formula C12H12N2O3S and molecular weight 264.06 g/mol. IUPAC: 1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of 3-(4-Ethoxyphenyl)-6-hydroxy-2-sulfanylidene-2,5-dihydropyrimidin-4(3H)-one
Property Insights of 3-(4-Ethoxyphenyl)-6-hydroxy-2-sulfanylidene-2,5-dihydropyrimidin-4(3H)-one
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Ethoxyphenyl)-6-hydroxy-2-sulfanylidene-2,5-dihydropyrimidin-4(3H)-one. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Ethoxyphenyl)-6-hydroxy-2-sulfanylidene-2,5-dihydropyrimidin-4(3H)-one. Following Lipinski's Rule of Five, 3-(4-Ethoxyphenyl)-6-hydroxy-2-sulfanylidene-2,5-dihydropyrimidin-4(3H)-one has 1 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 3-(4-Ethoxyphenyl)-6-hydroxy-2-sulfanylidene-2,5-dihydropyrimidin-4(3H)-one?
The CAS number of 3-(4-Ethoxyphenyl)-6-hydroxy-2-sulfanylidene-2,5-dihydropyrimidin-4(3H)-one is 923-09-1.
What is the molecular formula of 3-(4-Ethoxyphenyl)-6-hydroxy-2-sulfanylidene-2,5-dihydropyrimidin-4(3H)-one?
The molecular formula of 3-(4-Ethoxyphenyl)-6-hydroxy-2-sulfanylidene-2,5-dihydropyrimidin-4(3H)-one is C12H12N2O3S.
What is the molecular weight of 3-(4-Ethoxyphenyl)-6-hydroxy-2-sulfanylidene-2,5-dihydropyrimidin-4(3H)-one?
The molecular weight of 3-(4-Ethoxyphenyl)-6-hydroxy-2-sulfanylidene-2,5-dihydropyrimidin-4(3H)-one is 264.06 g/mol.
Where can I buy 3-(4-Ethoxyphenyl)-6-hydroxy-2-sulfanylidene-2,5-dihydropyrimidin-4(3H)-one?
You can request a quote for 3-(4-Ethoxyphenyl)-6-hydroxy-2-sulfanylidene-2,5-dihydropyrimidin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Ethoxyphenyl)-6-hydroxy-2-sulfanylidene-2,5-dihydropyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Ethoxyphenyl)-6-hydroxy-2-sulfanylidene-2,5-dihydropyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.