![5-[(4-butoxyphenyl)methyl]-6-(ethoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one structure](/static/products/5534/55342-47-7.webp)
5-[(4-butoxyphenyl)methyl]-6-(ethoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one
TL;DR: 5-[(4-butoxyphenyl)methyl]-6-(ethoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one (CAS 55342-47-7) is a chemical compound with molecular formula C18H24N2O3S and molecular weight 348.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-butoxyphenyl)methyl]-6-(ethoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: BAS 00334121, 5-(4-Butoxy-benzyl)-6-ethoxymethyl-2-mercapto-pyrimidin-4-ol, 5-(4-butoxybenzyl)-6-(ethoxymethyl)-2-mercaptopyrimidin-4-ol, 5-(4-butoxybenzyl)-6-(ethoxymethyl)-2-sulfanylpyrimidin-4-ol, 5-[(4-butoxyphenyl)methyl]-6-(ethoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one
| Molecular Formula | C18H24N2O3S |
|---|---|
| Molecular Weight | 348.15 g/mol |
| LogP | 3.73869 |
| Topological Polar Surface Area | 67.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 348.15076 |
| Heavy Atoms | 24 |
| Complexity | 750.09454 |
Chemical Identifiers
| CAS Number | 55342-47-7 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)CC2=C(NC(=S)NC2=O)COCC |
Product Overview
5-[(4-butoxyphenyl)methyl]-6-(ethoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one (CAS 55342-47-7), with molecular formula C18H24N2O3S and molecular weight 348.15 g/mol. IUPAC: 5-[(4-butoxyphenyl)methyl]-6-(ethoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of 5-[(4-butoxyphenyl)methyl]-6-(ethoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one
Property Insights of 5-[(4-butoxyphenyl)methyl]-6-(ethoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one
The XLogP value of 3.73869 indicates that 5-[(4-butoxyphenyl)methyl]-6-(ethoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(4-butoxyphenyl)methyl]-6-(ethoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one. Following Lipinski's Rule of Five, 5-[(4-butoxyphenyl)methyl]-6-(ethoxymethyl)-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 5-[(4-butoxyphenyl)methyl]-6-(ethoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one?
The CAS number of 5-[(4-butoxyphenyl)methyl]-6-(ethoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one is 55342-47-7.
What is the molecular formula of 5-[(4-butoxyphenyl)methyl]-6-(ethoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one?
The molecular formula of 5-[(4-butoxyphenyl)methyl]-6-(ethoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one is C18H24N2O3S.
What is the molecular weight of 5-[(4-butoxyphenyl)methyl]-6-(ethoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one?
The molecular weight of 5-[(4-butoxyphenyl)methyl]-6-(ethoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one is 348.15 g/mol.
Where can I buy 5-[(4-butoxyphenyl)methyl]-6-(ethoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one?
You can request a quote for 5-[(4-butoxyphenyl)methyl]-6-(ethoxymethyl)-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 5-[(4-butoxyphenyl)methyl]-6-(ethoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 5-[(4-butoxyphenyl)methyl]-6-(ethoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.