Butyl 2-(4-hydroxy-6-methyl-2-sulfanylpyrimidin-5-yl)propanoate
TL;DR: Butyl 2-(4-hydroxy-6-methyl-2-sulfanylpyrimidin-5-yl)propanoate (CAS 500115-91-3) is a chemical compound with molecular formula C12H18N2O3S and molecular weight 270.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoate
Also Known As: butyl 2-(4-hydroxy-6-methyl-2-sulfanylpyrimidin-5-yl)propanoate, butyl 2-(6-methyl-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)propanoate, butyl 2-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoate
| Molecular Formula | C12H18N2O3S |
|---|---|
| Molecular Weight | 270.10 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 99.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 270.10382 |
| Heavy Atoms | 18 |
| Complexity | 404.0 |
Chemical Identifiers
| CAS Number | 500115-91-3 |
|---|---|
| SMILES | CCCCOC(=O)C(C)C1=C(NC(=S)NC1=O)C |
| InChIKey | PKZVIXFDWBWRSR-UHFFFAOYSA-N |
Product Overview
Butyl 2-(4-hydroxy-6-methyl-2-sulfanylpyrimidin-5-yl)propanoate (CAS 500115-91-3), with molecular formula C12H18N2O3S and molecular weight 270.10 g/mol. IUPAC: butyl 2-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoate.
Chemical Property Profile of Butyl 2-(4-hydroxy-6-methyl-2-sulfanylpyrimidin-5-yl)propanoate
Property Insights of Butyl 2-(4-hydroxy-6-methyl-2-sulfanylpyrimidin-5-yl)propanoate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl 2-(4-hydroxy-6-methyl-2-sulfanylpyrimidin-5-yl)propanoate. The TPSA of 99.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl 2-(4-hydroxy-6-methyl-2-sulfanylpyrimidin-5-yl)propanoate. Following Lipinski's Rule of Five, Butyl 2-(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 Butyl 2-(4-hydroxy-6-methyl-2-sulfanylpyrimidin-5-yl)propanoate?
The CAS number of Butyl 2-(4-hydroxy-6-methyl-2-sulfanylpyrimidin-5-yl)propanoate is 500115-91-3.
What is the molecular formula of Butyl 2-(4-hydroxy-6-methyl-2-sulfanylpyrimidin-5-yl)propanoate?
The molecular formula of Butyl 2-(4-hydroxy-6-methyl-2-sulfanylpyrimidin-5-yl)propanoate is C12H18N2O3S.
What is the molecular weight of Butyl 2-(4-hydroxy-6-methyl-2-sulfanylpyrimidin-5-yl)propanoate?
The molecular weight of Butyl 2-(4-hydroxy-6-methyl-2-sulfanylpyrimidin-5-yl)propanoate is 270.10 g/mol.
Where can I buy Butyl 2-(4-hydroxy-6-methyl-2-sulfanylpyrimidin-5-yl)propanoate?
You can request a quote for Butyl 2-(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 Butyl 2-(4-hydroxy-6-methyl-2-sulfanylpyrimidin-5-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 2-(4-hydroxy-6-methyl-2-sulfanylpyrimidin-5-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.