6-amino-1-phenyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
TL;DR: 6-amino-1-phenyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one (CAS 15837-46-4) is a chemical compound with molecular formula C10H9N3OS and molecular weight 219.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-1-phenyl-2-sulfanylidenepyrimidin-4-one
Also Known As: 6-amino-1-phenyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one, 6-amino-1-phenyl-2-sulfanylidenepyrimidin-4-one, 6-Amino-2-mercapto-1-phenyl-1H-pyrimidin-4-one, BAS 03592156, 6-Amino-1-phenyl-1H-pyrimidin-2-thion-4-on
| Molecular Formula | C10H9N3OS |
|---|---|
| Molecular Weight | 219.05 g/mol |
| LogP | 1.47729 |
| Topological Polar Surface Area | 63.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 219.04663 |
| Heavy Atoms | 15 |
| Complexity | 585.60675 |
Chemical Identifiers
| CAS Number | 15837-46-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=CC(=O)NC2=S)N |
Product Overview
6-amino-1-phenyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one (CAS 15837-46-4), with molecular formula C10H9N3OS and molecular weight 219.05 g/mol. IUPAC: 6-amino-1-phenyl-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of 6-amino-1-phenyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
Property Insights of 6-amino-1-phenyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
The XLogP value of 1.47729 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-amino-1-phenyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one. The TPSA of 63.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-amino-1-phenyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one. Following Lipinski's Rule of Five, 6-amino-1-phenyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one has 2 hydrogen bond donor(s) and 3 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-amino-1-phenyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
The CAS number of 6-amino-1-phenyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is 15837-46-4.
What is the molecular formula of 6-amino-1-phenyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
The molecular formula of 6-amino-1-phenyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is C10H9N3OS.
What is the molecular weight of 6-amino-1-phenyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
The molecular weight of 6-amino-1-phenyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is 219.05 g/mol.
Where can I buy 6-amino-1-phenyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
You can request a quote for 6-amino-1-phenyl-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 6-amino-1-phenyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-amino-1-phenyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.