5-((6-hydroxy-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(pyridin-4-yl)methyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
TL;DR: 5-((6-hydroxy-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(pyridin-4-yl)methyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 313953-49-0) is a chemical compound with molecular formula C14H11N5O4S2 and molecular weight 377.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-pyridin-4-ylmethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: 5-((6-hydroxy-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(pyridin-4-yl)methyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 5-[(4,6-dihydroxy-2-sulfanylpyrimidin-5-yl)(pyridin-4-yl)methyl]-6-hydroxy-2-sulfanylpyrimidin-4(5H)-one, 5-[(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-pyridin-4-ylmethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C14H11N5O4S2 |
|---|---|
| Molecular Weight | 377.03 g/mol |
| LogP | -0.18791 |
| Topological Polar Surface Area | 139.97 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 377.02524 |
| Heavy Atoms | 25 |
| Complexity | 964.7069 |
Chemical Identifiers
| CAS Number | 313953-49-0 |
|---|---|
| SMILES | C1=CN=CC=C1C(C2C(=O)NC(=S)NC2=O)C3=C(NC(=S)NC3=O)O |
Product Overview
5-((6-hydroxy-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(pyridin-4-yl)methyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 313953-49-0), with molecular formula C14H11N5O4S2 and molecular weight 377.03 g/mol. IUPAC: 5-[(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-pyridin-4-ylmethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of 5-((6-hydroxy-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(pyridin-4-yl)methyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Property Insights of 5-((6-hydroxy-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(pyridin-4-yl)methyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
The XLogP value of -0.18791 indicates that 5-((6-hydroxy-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(pyridin-4-yl)methyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 139.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-((6-hydroxy-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(pyridin-4-yl)methyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione. Following Lipinski's Rule of Five, 5-((6-hydroxy-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(pyridin-4-yl)methyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione has 5 hydrogen bond donor(s) and 7 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-((6-hydroxy-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(pyridin-4-yl)methyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The CAS number of 5-((6-hydroxy-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(pyridin-4-yl)methyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 313953-49-0.
What is the molecular formula of 5-((6-hydroxy-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(pyridin-4-yl)methyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular formula of 5-((6-hydroxy-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(pyridin-4-yl)methyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is C14H11N5O4S2.
What is the molecular weight of 5-((6-hydroxy-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(pyridin-4-yl)methyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular weight of 5-((6-hydroxy-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(pyridin-4-yl)methyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 377.03 g/mol.
Where can I buy 5-((6-hydroxy-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(pyridin-4-yl)methyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
You can request a quote for 5-((6-hydroxy-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(pyridin-4-yl)methyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-((6-hydroxy-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(pyridin-4-yl)methyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-((6-hydroxy-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(pyridin-4-yl)methyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.