6-(diethoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one
TL;DR: 6-(diethoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one (CAS 16953-49-4) is a chemical compound with molecular formula C9H14N2O3S and molecular weight 230.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(diethoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: 6-(diethoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one, 6-diethoxymethyl-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one, 6-(Diethoxymethyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one, 6-(Diethoxymethyl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
| Molecular Formula | C9H14N2O3S |
|---|---|
| Molecular Weight | 230.07 g/mol |
| LogP | 1.50409 |
| Topological Polar Surface Area | 67.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 230.07251 |
| Heavy Atoms | 15 |
| Complexity | 378.05875 |
Chemical Identifiers
| CAS Number | 16953-49-4 |
|---|---|
| SMILES | CCOC(C1=CC(=O)NC(=S)N1)OCC |
Product Overview
6-(diethoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one (CAS 16953-49-4), with molecular formula C9H14N2O3S and molecular weight 230.07 g/mol. IUPAC: 6-(diethoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of 6-(diethoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one
Property Insights of 6-(diethoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one
The XLogP value of 1.50409 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(diethoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one. The TPSA of 67.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(diethoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one. Following Lipinski's Rule of Five, 6-(diethoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one 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 6-(diethoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one?
The CAS number of 6-(diethoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one is 16953-49-4.
What is the molecular formula of 6-(diethoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one?
The molecular formula of 6-(diethoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one is C9H14N2O3S.
What is the molecular weight of 6-(diethoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one?
The molecular weight of 6-(diethoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one is 230.07 g/mol.
Where can I buy 6-(diethoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one?
You can request a quote for 6-(diethoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(diethoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 6-(diethoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.