5,5'-((3-nitrophenyl)methylene)bis(6-hydroxy-1,3-dimethyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one)
TL;DR: 5,5'-((3-nitrophenyl)methylene)bis(6-hydroxy-1,3-dimethyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one) (CAS 680200-52-6) is a chemical compound with molecular formula C19H19N5O6S2 and molecular weight 477.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-5-[(4-hydroxy-1,3-dimethyl-6-oxo-2-sulfanylidenepyrimidin-5-yl)-(3-nitrophenyl)methyl]-1,3-dimethyl-2-sulfanylidenepyrimidin-4-one
Also Known As: 5,5'-((3-nitrophenyl)methylene)bis(6-hydroxy-1,3-dimethyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one), 5,5'-[(3-nitrophenyl)methanediyl]bis(6-hydroxy-1,3-dimethyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one), 6-hydroxy-5-[(4-hydroxy-1,3-dimethyl-6-oxo-2-sulfanylidenepyrimidin-5-yl)-(3-nitrophenyl)methyl]-1,3-dimethyl-2-sulfanylidenepyrimidin-4-one
| Molecular Formula | C19H19N5O6S2 |
|---|---|
| Molecular Weight | 477.08 g/mol |
| LogP | 1.71958 |
| Topological Polar Surface Area | 137.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 477.07767 |
| Heavy Atoms | 32 |
| Complexity | 1429.2891 |
Chemical Identifiers
| CAS Number | 680200-52-6 |
|---|---|
| SMILES | CN1C(=C(C(=O)N(C1=S)C)C(C2=CC(=CC=C2)[N+](=O)[O-])C3=C(N(C(=S)N(C3=O)C)C)O)O |
Product Overview
5,5'-((3-nitrophenyl)methylene)bis(6-hydroxy-1,3-dimethyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one) (CAS 680200-52-6), with molecular formula C19H19N5O6S2 and molecular weight 477.08 g/mol. IUPAC: 6-hydroxy-5-[(4-hydroxy-1,3-dimethyl-6-oxo-2-sulfanylidenepyrimidin-5-yl)-(3-nitrophenyl)methyl]-1,3-dimethyl-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of 5,5'-((3-nitrophenyl)methylene)bis(6-hydroxy-1,3-dimethyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one)
Property Insights of 5,5'-((3-nitrophenyl)methylene)bis(6-hydroxy-1,3-dimethyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one)
The XLogP value of 1.71958 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,5'-((3-nitrophenyl)methylene)bis(6-hydroxy-1,3-dimethyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one). The TPSA of 137.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,5'-((3-nitrophenyl)methylene)bis(6-hydroxy-1,3-dimethyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one). Following Lipinski's Rule of Five, 5,5'-((3-nitrophenyl)methylene)bis(6-hydroxy-1,3-dimethyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one) has 2 hydrogen bond donor(s) and 8 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 5,5'-((3-nitrophenyl)methylene)bis(6-hydroxy-1,3-dimethyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one)?
The CAS number of 5,5'-((3-nitrophenyl)methylene)bis(6-hydroxy-1,3-dimethyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one) is 680200-52-6.
What is the molecular formula of 5,5'-((3-nitrophenyl)methylene)bis(6-hydroxy-1,3-dimethyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one)?
The molecular formula of 5,5'-((3-nitrophenyl)methylene)bis(6-hydroxy-1,3-dimethyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one) is C19H19N5O6S2.
What is the molecular weight of 5,5'-((3-nitrophenyl)methylene)bis(6-hydroxy-1,3-dimethyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one)?
The molecular weight of 5,5'-((3-nitrophenyl)methylene)bis(6-hydroxy-1,3-dimethyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one) is 477.08 g/mol.
Where can I buy 5,5'-((3-nitrophenyl)methylene)bis(6-hydroxy-1,3-dimethyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one)?
You can request a quote for 5,5'-((3-nitrophenyl)methylene)bis(6-hydroxy-1,3-dimethyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5'-((3-nitrophenyl)methylene)bis(6-hydroxy-1,3-dimethyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one)?
Yes, KEHONG BIO provides custom synthesis services for 5,5'-((3-nitrophenyl)methylene)bis(6-hydroxy-1,3-dimethyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.