N-(3-Fluorophenyl)-4,6-dihydroxy-2-mercapto-5-pyrimidinecarboxamide
TL;DR: N-(3-Fluorophenyl)-4,6-dihydroxy-2-mercapto-5-pyrimidinecarboxamide (CAS 129922-19-6) is a chemical compound with molecular formula C11H8FN3O3S and molecular weight 281.02704 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(3-fluorophenyl)-6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxamide
Also Known As: red 1, 5-Pyrimidinecarboxamide,2,3,4-tetrahydro-6-hydroxy-4-oxo-2-thioxo-, N-(3-Fluorophenyl)-4,6-dihydroxy-2-mercapto-5-pyrimidinecarboxamide, N-(3-fluorophenyl)-4,6-dihydroxy-2-sulfanyl-pyrimidine-5-carboxamide, 5-Pyrimidinecarboxamide, N-(3-fluorophenyl)-1,2,3, 4-tetrahydro-6-hydroxy-4-oxo-2-thioxo-
Technical Specifications
| Molecular Formula | C11H8FN3O3S |
| Molecular Weight | 281.02704 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 123.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 281.02704 Da |
| Heavy Atoms | 19 |
| Complexity | 466.0 |
| SMILES | C1=CC(=CC(=C1)F)NC(=O)C2=C(NC(=S)NC2=O)O |
| InChIKey | JIGWRDXHGSZQLW-UHFFFAOYSA-N |
Chemical Property Profile of N-(3-Fluorophenyl)-4,6-dihydroxy-2-mercapto-5-pyrimidinecarboxamide
Property Insights of N-(3-Fluorophenyl)-4,6-dihydroxy-2-mercapto-5-pyrimidinecarboxamide
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-Fluorophenyl)-4,6-dihydroxy-2-mercapto-5-pyrimidinecarboxamide. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-Fluorophenyl)-4,6-dihydroxy-2-mercapto-5-pyrimidinecarboxamide. Following Lipinski's Rule of Five, N-(3-Fluorophenyl)-4,6-dihydroxy-2-mercapto-5-pyrimidinecarboxamide has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-(3-Fluorophenyl)-4,6-dihydroxy-2-mercapto-5-pyrimidinecarboxamide?
The CAS number of N-(3-Fluorophenyl)-4,6-dihydroxy-2-mercapto-5-pyrimidinecarboxamide is 129922-19-6.
What is the molecular formula of N-(3-Fluorophenyl)-4,6-dihydroxy-2-mercapto-5-pyrimidinecarboxamide?
The molecular formula of N-(3-Fluorophenyl)-4,6-dihydroxy-2-mercapto-5-pyrimidinecarboxamide is C11H8FN3O3S.
What is the molecular weight of N-(3-Fluorophenyl)-4,6-dihydroxy-2-mercapto-5-pyrimidinecarboxamide?
The molecular weight of N-(3-Fluorophenyl)-4,6-dihydroxy-2-mercapto-5-pyrimidinecarboxamide is 281.02704 g/mol.
Where can I buy N-(3-Fluorophenyl)-4,6-dihydroxy-2-mercapto-5-pyrimidinecarboxamide?
You can request a quote for N-(3-Fluorophenyl)-4,6-dihydroxy-2-mercapto-5-pyrimidinecarboxamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(3-Fluorophenyl)-4,6-dihydroxy-2-mercapto-5-pyrimidinecarboxamide?
Yes, CoreyChem provides custom synthesis services for N-(3-Fluorophenyl)-4,6-dihydroxy-2-mercapto-5-pyrimidinecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.