(4-Hydroxy-6-oxo-5-propyl-1,6-dihydro-pyrimidin-2-ylsulfanyl)-acetic acid
TL;DR: (4-Hydroxy-6-oxo-5-propyl-1,6-dihydro-pyrimidin-2-ylsulfanyl)-acetic acid (CAS 109074-67-1) is a chemical compound with molecular formula C9H12N2O4S and molecular weight 244.05177 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4-hydroxy-6-oxo-5-propyl-1H-pyrimidin-2-yl)sulfanyl]acetic acid
Also Known As: 2-(Trifluoromethyl)pyrrolidine, (4-Hydroxy-6-oxo-5-propyl-1,6-dihydro-pyrimidin-2-ylsulfanyl)-acetic acid, BAS 01811609, IDI1_003866, BIM-0030058.P001
Technical Specifications
| Molecular Formula | C9H12N2O4S |
| Molecular Weight | 244.05177 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 244.05177 Da |
| Heavy Atoms | 16 |
| Complexity | 376.0 |
| SMILES | CCCC1=C(N=C(NC1=O)SCC(=O)O)O |
| InChIKey | KBUQJVWITUTFKU-UHFFFAOYSA-N |
Chemical Property Profile of (4-Hydroxy-6-oxo-5-propyl-1,6-dihydro-pyrimidin-2-ylsulfanyl)-acetic acid
Property Insights of (4-Hydroxy-6-oxo-5-propyl-1,6-dihydro-pyrimidin-2-ylsulfanyl)-acetic acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Hydroxy-6-oxo-5-propyl-1,6-dihydro-pyrimidin-2-ylsulfanyl)-acetic acid. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Hydroxy-6-oxo-5-propyl-1,6-dihydro-pyrimidin-2-ylsulfanyl)-acetic acid. Following Lipinski's Rule of Five, (4-Hydroxy-6-oxo-5-propyl-1,6-dihydro-pyrimidin-2-ylsulfanyl)-acetic acid has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (4-Hydroxy-6-oxo-5-propyl-1,6-dihydro-pyrimidin-2-ylsulfanyl)-acetic acid?
The CAS number of (4-Hydroxy-6-oxo-5-propyl-1,6-dihydro-pyrimidin-2-ylsulfanyl)-acetic acid is 109074-67-1.
What is the molecular formula of (4-Hydroxy-6-oxo-5-propyl-1,6-dihydro-pyrimidin-2-ylsulfanyl)-acetic acid?
The molecular formula of (4-Hydroxy-6-oxo-5-propyl-1,6-dihydro-pyrimidin-2-ylsulfanyl)-acetic acid is C9H12N2O4S.
What is the molecular weight of (4-Hydroxy-6-oxo-5-propyl-1,6-dihydro-pyrimidin-2-ylsulfanyl)-acetic acid?
The molecular weight of (4-Hydroxy-6-oxo-5-propyl-1,6-dihydro-pyrimidin-2-ylsulfanyl)-acetic acid is 244.05177 g/mol.
Where can I buy (4-Hydroxy-6-oxo-5-propyl-1,6-dihydro-pyrimidin-2-ylsulfanyl)-acetic acid?
You can request a quote for (4-Hydroxy-6-oxo-5-propyl-1,6-dihydro-pyrimidin-2-ylsulfanyl)-acetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (4-Hydroxy-6-oxo-5-propyl-1,6-dihydro-pyrimidin-2-ylsulfanyl)-acetic acid?
Yes, CoreyChem provides custom synthesis services for (4-Hydroxy-6-oxo-5-propyl-1,6-dihydro-pyrimidin-2-ylsulfanyl)-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.