![2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]hexanoic Acid structure](/static/products/5001/500146-87-2.webp)
2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]hexanoic Acid
TL;DR: 2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]hexanoic Acid (CAS 500146-87-2) is a chemical compound with molecular formula C17H20N2O4S and molecular weight 348.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]hexanoic acid
Also Known As: AJ-292/41342503, 2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]hexanoic Acid, 2-[(5-benzyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]hexanoic acid, 2-((5-benzyl-4,6-dihydroxypyrimidin-2-yl)thio)hexanoic acid
| Molecular Formula | C17H20N2O4S |
|---|---|
| Molecular Weight | 348.11 g/mol |
| LogP | 2.8018 |
| Topological Polar Surface Area | 103.28 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 348.11438 |
| Heavy Atoms | 24 |
| Complexity | 746.0009 |
Chemical Identifiers
| CAS Number | 500146-87-2 |
|---|---|
| SMILES | CCCCC(C(=O)O)SC1=NC(=C(C(=O)N1)CC2=CC=CC=C2)O |
Product Overview
2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]hexanoic Acid (CAS 500146-87-2), with molecular formula C17H20N2O4S and molecular weight 348.11 g/mol. IUPAC: 2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]hexanoic acid.
Chemical Property Profile of 2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]hexanoic Acid
Property Insights of 2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]hexanoic Acid
The XLogP value of 2.8018 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]hexanoic Acid. The TPSA of 103.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]hexanoic Acid. Following Lipinski's Rule of Five, 2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]hexanoic Acid has 3 hydrogen bond donor(s) and 5 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 2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]hexanoic Acid?
The CAS number of 2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]hexanoic Acid is 500146-87-2.
What is the molecular formula of 2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]hexanoic Acid?
The molecular formula of 2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]hexanoic Acid is C17H20N2O4S.
What is the molecular weight of 2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]hexanoic Acid?
The molecular weight of 2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]hexanoic Acid is 348.11 g/mol.
Where can I buy 2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]hexanoic Acid?
You can request a quote for 2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]hexanoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]hexanoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]hexanoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.