![benzyl 2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetate structure](/static/products/898/898441-40-2.png)
benzyl 2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetate
TL;DR: benzyl 2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetate (CAS 898441-40-2) is a chemical compound with molecular formula C14H14N2O3S and molecular weight 290.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetate
Also Known As: AB00679913-01, F2585-0220, benzyl 2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetate, benzyl 2-((6-methyl-2-oxo-1,2-dihydropyrimidin-4-yl)thio)acetate, benzyl (6-methyl-2-oxo-1,2-dihydro-4-pyrimidinylthio)acetate
| Molecular Formula | C14H14N2O3S |
|---|---|
| Molecular Weight | 290.07 g/mol |
| LogP | 1.91382 |
| Topological Polar Surface Area | 72.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 290.0725 |
| Heavy Atoms | 20 |
| Complexity | 640.3673 |
Chemical Identifiers
| CAS Number | 898441-40-2 |
|---|---|
| SMILES | CC1=CC(=NC(=O)N1)SCC(=O)OCC2=CC=CC=C2 |
Product Overview
benzyl 2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetate (CAS 898441-40-2), with molecular formula C14H14N2O3S and molecular weight 290.07 g/mol. IUPAC: benzyl 2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetate.
Chemical Property Profile of benzyl 2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetate
Property Insights of benzyl 2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetate
The XLogP value of 1.91382 suggests moderate lipophilicity, balancing water solubility and membrane permeability for benzyl 2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetate. The TPSA of 72.05 Ų falls within the moderate polarity range, balancing permeability and solubility for benzyl 2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetate. Following Lipinski's Rule of Five, benzyl 2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetate has 1 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 benzyl 2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetate?
The CAS number of benzyl 2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetate is 898441-40-2.
What is the molecular formula of benzyl 2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetate?
The molecular formula of benzyl 2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetate is C14H14N2O3S.
What is the molecular weight of benzyl 2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetate?
The molecular weight of benzyl 2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetate is 290.07 g/mol.
Where can I buy benzyl 2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetate?
You can request a quote for benzyl 2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for benzyl 2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for benzyl 2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.