5-(4-Ethoxybenzyl)-6-(ethoxymethyl)-2-sulfanylpyrimidin-4-ol
TL;DR: 5-(4-Ethoxybenzyl)-6-(ethoxymethyl)-2-sulfanylpyrimidin-4-ol (CAS 55342-44-4) is a chemical compound with molecular formula C16H20N2O3S and molecular weight 320.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(ethoxymethyl)-5-[(4-ethoxyphenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: BAS 02788733, AE-848/31943008, 5-(4-Ethoxy-benzyl)-6-ethoxymethyl-2-mercapto-pyrimidin-4-ol, 5-(4-ethoxybenzyl)-6-(ethoxymethyl)-2-mercapto-4-pyrimidinol, 5-(4-ethoxybenzyl)-6-(ethoxymethyl)-2-mercaptopyrimidin-4-ol
| Molecular Formula | C16H20N2O3S |
|---|---|
| Molecular Weight | 320.12 g/mol |
| LogP | 2.95849 |
| Topological Polar Surface Area | 67.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 320.11948 |
| Heavy Atoms | 22 |
| Complexity | 719.4061 |
Chemical Identifiers
| CAS Number | 55342-44-4 |
|---|---|
| SMILES | CCOCC1=C(C(=O)NC(=S)N1)CC2=CC=C(C=C2)OCC |
Product Overview
5-(4-Ethoxybenzyl)-6-(ethoxymethyl)-2-sulfanylpyrimidin-4-ol (CAS 55342-44-4), with molecular formula C16H20N2O3S and molecular weight 320.12 g/mol. IUPAC: 6-(ethoxymethyl)-5-[(4-ethoxyphenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of 5-(4-Ethoxybenzyl)-6-(ethoxymethyl)-2-sulfanylpyrimidin-4-ol
Property Insights of 5-(4-Ethoxybenzyl)-6-(ethoxymethyl)-2-sulfanylpyrimidin-4-ol
The XLogP value of 2.95849 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-Ethoxybenzyl)-6-(ethoxymethyl)-2-sulfanylpyrimidin-4-ol. The TPSA of 67.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-Ethoxybenzyl)-6-(ethoxymethyl)-2-sulfanylpyrimidin-4-ol. Following Lipinski's Rule of Five, 5-(4-Ethoxybenzyl)-6-(ethoxymethyl)-2-sulfanylpyrimidin-4-ol 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-Ethoxybenzyl)-6-(ethoxymethyl)-2-sulfanylpyrimidin-4-ol?
The CAS number of 5-(4-Ethoxybenzyl)-6-(ethoxymethyl)-2-sulfanylpyrimidin-4-ol is 55342-44-4.
What is the molecular formula of 5-(4-Ethoxybenzyl)-6-(ethoxymethyl)-2-sulfanylpyrimidin-4-ol?
The molecular formula of 5-(4-Ethoxybenzyl)-6-(ethoxymethyl)-2-sulfanylpyrimidin-4-ol is C16H20N2O3S.
What is the molecular weight of 5-(4-Ethoxybenzyl)-6-(ethoxymethyl)-2-sulfanylpyrimidin-4-ol?
The molecular weight of 5-(4-Ethoxybenzyl)-6-(ethoxymethyl)-2-sulfanylpyrimidin-4-ol is 320.12 g/mol.
Where can I buy 5-(4-Ethoxybenzyl)-6-(ethoxymethyl)-2-sulfanylpyrimidin-4-ol?
You can request a quote for 5-(4-Ethoxybenzyl)-6-(ethoxymethyl)-2-sulfanylpyrimidin-4-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Ethoxybenzyl)-6-(ethoxymethyl)-2-sulfanylpyrimidin-4-ol?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Ethoxybenzyl)-6-(ethoxymethyl)-2-sulfanylpyrimidin-4-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.