![2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one structure](/static/products/825/825656-97-1.png)
2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
TL;DR: 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one (CAS 825656-97-1) is a chemical compound with molecular formula C14H14N2O4S and molecular weight 306.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
Also Known As: 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one, 1-(3,4-dimethoxyphenyl)-2-[(4-hydroxypyrimidin-2-yl)sulfanyl]ethanone
| Molecular Formula | C14H14N2O4S |
|---|---|
| Molecular Weight | 306.07 g/mol |
| LogP | 1.7621 |
| Topological Polar Surface Area | 81.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 306.0674 |
| Heavy Atoms | 21 |
| Complexity | 699.3685 |
Chemical Identifiers
| CAS Number | 825656-97-1 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)CSC2=NC=CC(=O)N2)OC |
Product Overview
2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one (CAS 825656-97-1), with molecular formula C14H14N2O4S and molecular weight 306.07 g/mol. IUPAC: 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one.
Chemical Property Profile of 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
Property Insights of 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
The XLogP value of 1.7621 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one. The TPSA of 81.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one. Following Lipinski's Rule of Five, 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one has 1 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 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one?
The CAS number of 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one is 825656-97-1.
What is the molecular formula of 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one?
The molecular formula of 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one is C14H14N2O4S.
What is the molecular weight of 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one?
The molecular weight of 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one is 306.07 g/mol.
Where can I buy 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one?
You can request a quote for 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.