Hexyl 3-(4-hydroxy-6-methyl-2-sulfanylpyrimidin-5-yl)propanoate
TL;DR: Hexyl 3-(4-hydroxy-6-methyl-2-sulfanylpyrimidin-5-yl)propanoate (CAS 497940-20-2) is a chemical compound with molecular formula C14H22N2O3S and molecular weight 298.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexyl 3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoate
Also Known As: hexyl 3-(4-hydroxy-6-methyl-2-sulfanylpyrimidin-5-yl)propanoate, hexyl 3-(6-methyl-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)propanoate, hexyl 3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoate
| Molecular Formula | C14H22N2O3S |
|---|---|
| Molecular Weight | 298.14 g/mol |
| LogP | 2.79701 |
| Topological Polar Surface Area | 74.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 298.1351 |
| Heavy Atoms | 20 |
| Complexity | 548.0854 |
Chemical Identifiers
| CAS Number | 497940-20-2 |
|---|---|
| SMILES | CCCCCCOC(=O)CCC1=C(NC(=S)NC1=O)C |
Product Overview
Hexyl 3-(4-hydroxy-6-methyl-2-sulfanylpyrimidin-5-yl)propanoate (CAS 497940-20-2), with molecular formula C14H22N2O3S and molecular weight 298.14 g/mol. IUPAC: hexyl 3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoate.
Chemical Property Profile of Hexyl 3-(4-hydroxy-6-methyl-2-sulfanylpyrimidin-5-yl)propanoate
Property Insights of Hexyl 3-(4-hydroxy-6-methyl-2-sulfanylpyrimidin-5-yl)propanoate
The XLogP value of 2.79701 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexyl 3-(4-hydroxy-6-methyl-2-sulfanylpyrimidin-5-yl)propanoate. The TPSA of 74.95 Ų falls within the moderate polarity range, balancing permeability and solubility for Hexyl 3-(4-hydroxy-6-methyl-2-sulfanylpyrimidin-5-yl)propanoate. Following Lipinski's Rule of Five, Hexyl 3-(4-hydroxy-6-methyl-2-sulfanylpyrimidin-5-yl)propanoate has 2 hydrogen bond donor(s) and 4 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 Hexyl 3-(4-hydroxy-6-methyl-2-sulfanylpyrimidin-5-yl)propanoate?
The CAS number of Hexyl 3-(4-hydroxy-6-methyl-2-sulfanylpyrimidin-5-yl)propanoate is 497940-20-2.
What is the molecular formula of Hexyl 3-(4-hydroxy-6-methyl-2-sulfanylpyrimidin-5-yl)propanoate?
The molecular formula of Hexyl 3-(4-hydroxy-6-methyl-2-sulfanylpyrimidin-5-yl)propanoate is C14H22N2O3S.
What is the molecular weight of Hexyl 3-(4-hydroxy-6-methyl-2-sulfanylpyrimidin-5-yl)propanoate?
The molecular weight of Hexyl 3-(4-hydroxy-6-methyl-2-sulfanylpyrimidin-5-yl)propanoate is 298.14 g/mol.
Where can I buy Hexyl 3-(4-hydroxy-6-methyl-2-sulfanylpyrimidin-5-yl)propanoate?
You can request a quote for Hexyl 3-(4-hydroxy-6-methyl-2-sulfanylpyrimidin-5-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexyl 3-(4-hydroxy-6-methyl-2-sulfanylpyrimidin-5-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Hexyl 3-(4-hydroxy-6-methyl-2-sulfanylpyrimidin-5-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.