![3-[2-(4,6-Dimethylpyrimidin-2-yl)sulfanylacetyl]chromen-2-one structure](/static/products/6944/694496-67-8.webp)
3-[2-(4,6-Dimethylpyrimidin-2-yl)sulfanylacetyl]chromen-2-one
TL;DR: 3-[2-(4,6-Dimethylpyrimidin-2-yl)sulfanylacetyl]chromen-2-one (CAS 694496-67-8) is a chemical compound with molecular formula C17H14N2O3S and molecular weight 326.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]chromen-2-one
Also Known As: CBKinase1_004639, CBKinase1_017039, 3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]chromen-2-one, BRD-K10435135-001-01-7, 3-{[(4,6-dimethyl-2-pyrimidinyl)thio]acetyl}-2H-chromen-2-one
| Molecular Formula | C17H14N2O3S |
|---|---|
| Molecular Weight | 326.07 g/mol |
| LogP | 3.17484 |
| Topological Polar Surface Area | 73.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.0725 |
| Heavy Atoms | 23 |
| Complexity | 929.7165 |
Chemical Identifiers
| CAS Number | 694496-67-8 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SCC(=O)C2=CC3=CC=CC=C3OC2=O)C |
Product Overview
3-[2-(4,6-Dimethylpyrimidin-2-yl)sulfanylacetyl]chromen-2-one (CAS 694496-67-8), with molecular formula C17H14N2O3S and molecular weight 326.07 g/mol. IUPAC: 3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]chromen-2-one.
Chemical Property Profile of 3-[2-(4,6-Dimethylpyrimidin-2-yl)sulfanylacetyl]chromen-2-one
Property Insights of 3-[2-(4,6-Dimethylpyrimidin-2-yl)sulfanylacetyl]chromen-2-one
The XLogP value of 3.17484 indicates that 3-[2-(4,6-Dimethylpyrimidin-2-yl)sulfanylacetyl]chromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[2-(4,6-Dimethylpyrimidin-2-yl)sulfanylacetyl]chromen-2-one. Following Lipinski's Rule of Five, 3-[2-(4,6-Dimethylpyrimidin-2-yl)sulfanylacetyl]chromen-2-one has 0 hydrogen bond donor(s) and 6 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 3-[2-(4,6-Dimethylpyrimidin-2-yl)sulfanylacetyl]chromen-2-one?
The CAS number of 3-[2-(4,6-Dimethylpyrimidin-2-yl)sulfanylacetyl]chromen-2-one is 694496-67-8.
What is the molecular formula of 3-[2-(4,6-Dimethylpyrimidin-2-yl)sulfanylacetyl]chromen-2-one?
The molecular formula of 3-[2-(4,6-Dimethylpyrimidin-2-yl)sulfanylacetyl]chromen-2-one is C17H14N2O3S.
What is the molecular weight of 3-[2-(4,6-Dimethylpyrimidin-2-yl)sulfanylacetyl]chromen-2-one?
The molecular weight of 3-[2-(4,6-Dimethylpyrimidin-2-yl)sulfanylacetyl]chromen-2-one is 326.07 g/mol.
Where can I buy 3-[2-(4,6-Dimethylpyrimidin-2-yl)sulfanylacetyl]chromen-2-one?
You can request a quote for 3-[2-(4,6-Dimethylpyrimidin-2-yl)sulfanylacetyl]chromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[2-(4,6-Dimethylpyrimidin-2-yl)sulfanylacetyl]chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[2-(4,6-Dimethylpyrimidin-2-yl)sulfanylacetyl]chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.