6-(dimethoxymethyl)-5-methyl-2-sulfanylidene-1H-pyrimidin-4-one
TL;DR: 6-(dimethoxymethyl)-5-methyl-2-sulfanylidene-1H-pyrimidin-4-one (CAS 90434-80-3) is a chemical compound with molecular formula C8H12N2O3S and molecular weight 216.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(dimethoxymethyl)-5-methyl-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: 4-Bromo-2,3-difluorophenol, 6-(dimethoxymethyl)-5-methyl-2-sulfanylidene-1H-pyrimidin-4-one, 6-dimethoxymethyl-5-methyl-2-thioxo-2,3-dihydro-1H-pyrimidine-4-one, 6-(Dimethoxymethyl)-5-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
| Molecular Formula | C8H12N2O3S |
|---|---|
| Molecular Weight | 216.06 g/mol |
| LogP | 1.03231 |
| Topological Polar Surface Area | 67.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.05687 |
| Heavy Atoms | 14 |
| Complexity | 419.32996 |
Chemical Identifiers
| CAS Number | 90434-80-3 |
|---|---|
| SMILES | CC1=C(NC(=S)NC1=O)C(OC)OC |
Product Overview
6-(dimethoxymethyl)-5-methyl-2-sulfanylidene-1H-pyrimidin-4-one (CAS 90434-80-3), with molecular formula C8H12N2O3S and molecular weight 216.06 g/mol. IUPAC: 6-(dimethoxymethyl)-5-methyl-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of 6-(dimethoxymethyl)-5-methyl-2-sulfanylidene-1H-pyrimidin-4-one
Property Insights of 6-(dimethoxymethyl)-5-methyl-2-sulfanylidene-1H-pyrimidin-4-one
The XLogP value of 1.03231 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(dimethoxymethyl)-5-methyl-2-sulfanylidene-1H-pyrimidin-4-one. The TPSA of 67.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(dimethoxymethyl)-5-methyl-2-sulfanylidene-1H-pyrimidin-4-one. Following Lipinski's Rule of Five, 6-(dimethoxymethyl)-5-methyl-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-(dimethoxymethyl)-5-methyl-2-sulfanylidene-1H-pyrimidin-4-one?
The CAS number of 6-(dimethoxymethyl)-5-methyl-2-sulfanylidene-1H-pyrimidin-4-one is 90434-80-3.
What is the molecular formula of 6-(dimethoxymethyl)-5-methyl-2-sulfanylidene-1H-pyrimidin-4-one?
The molecular formula of 6-(dimethoxymethyl)-5-methyl-2-sulfanylidene-1H-pyrimidin-4-one is C8H12N2O3S.
What is the molecular weight of 6-(dimethoxymethyl)-5-methyl-2-sulfanylidene-1H-pyrimidin-4-one?
The molecular weight of 6-(dimethoxymethyl)-5-methyl-2-sulfanylidene-1H-pyrimidin-4-one is 216.06 g/mol.
Where can I buy 6-(dimethoxymethyl)-5-methyl-2-sulfanylidene-1H-pyrimidin-4-one?
You can request a quote for 6-(dimethoxymethyl)-5-methyl-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-(dimethoxymethyl)-5-methyl-2-sulfanylidene-1H-pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 6-(dimethoxymethyl)-5-methyl-2-sulfanylidene-1H-pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.