4-(Ethoxymethyl)-6-hydroxy-2-mercapto-5-(4-propoxybenzyl)pyrimidine
TL;DR: 4-(Ethoxymethyl)-6-hydroxy-2-mercapto-5-(4-propoxybenzyl)pyrimidine (CAS 55342-45-5) is a chemical compound with molecular formula C17H22N2O3S and molecular weight 334.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(ethoxymethyl)-5-[(4-propoxyphenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: BAS 00604673, AJ-292/34578022, 6-(ethoxymethyl)-2-mercapto-5-(4-propoxybenzyl)pyrimidin-4-ol, 6-(Ethoxymethyl)-5-(4-propoxybenzyl)-2-sulfanyl-4-pyrimidinol, 6-(ethoxymethyl)-5-(4-propoxybenzyl)-2-sulfanylpyrimidin-4-ol
| Molecular Formula | C17H22N2O3S |
|---|---|
| Molecular Weight | 334.14 g/mol |
| LogP | 3.34859 |
| Topological Polar Surface Area | 67.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 334.1351 |
| Heavy Atoms | 23 |
| Complexity | 734.7391 |
Chemical Identifiers
| CAS Number | 55342-45-5 |
|---|---|
| SMILES | CCCOC1=CC=C(C=C1)CC2=C(NC(=S)NC2=O)COCC |
Product Overview
4-(Ethoxymethyl)-6-hydroxy-2-mercapto-5-(4-propoxybenzyl)pyrimidine (CAS 55342-45-5), with molecular formula C17H22N2O3S and molecular weight 334.14 g/mol. IUPAC: 6-(ethoxymethyl)-5-[(4-propoxyphenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of 4-(Ethoxymethyl)-6-hydroxy-2-mercapto-5-(4-propoxybenzyl)pyrimidine
Property Insights of 4-(Ethoxymethyl)-6-hydroxy-2-mercapto-5-(4-propoxybenzyl)pyrimidine
The XLogP value of 3.34859 indicates that 4-(Ethoxymethyl)-6-hydroxy-2-mercapto-5-(4-propoxybenzyl)pyrimidine 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 4-(Ethoxymethyl)-6-hydroxy-2-mercapto-5-(4-propoxybenzyl)pyrimidine. Following Lipinski's Rule of Five, 4-(Ethoxymethyl)-6-hydroxy-2-mercapto-5-(4-propoxybenzyl)pyrimidine 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 4-(Ethoxymethyl)-6-hydroxy-2-mercapto-5-(4-propoxybenzyl)pyrimidine?
The CAS number of 4-(Ethoxymethyl)-6-hydroxy-2-mercapto-5-(4-propoxybenzyl)pyrimidine is 55342-45-5.
What is the molecular formula of 4-(Ethoxymethyl)-6-hydroxy-2-mercapto-5-(4-propoxybenzyl)pyrimidine?
The molecular formula of 4-(Ethoxymethyl)-6-hydroxy-2-mercapto-5-(4-propoxybenzyl)pyrimidine is C17H22N2O3S.
What is the molecular weight of 4-(Ethoxymethyl)-6-hydroxy-2-mercapto-5-(4-propoxybenzyl)pyrimidine?
The molecular weight of 4-(Ethoxymethyl)-6-hydroxy-2-mercapto-5-(4-propoxybenzyl)pyrimidine is 334.14 g/mol.
Where can I buy 4-(Ethoxymethyl)-6-hydroxy-2-mercapto-5-(4-propoxybenzyl)pyrimidine?
You can request a quote for 4-(Ethoxymethyl)-6-hydroxy-2-mercapto-5-(4-propoxybenzyl)pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Ethoxymethyl)-6-hydroxy-2-mercapto-5-(4-propoxybenzyl)pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-(Ethoxymethyl)-6-hydroxy-2-mercapto-5-(4-propoxybenzyl)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.