5-Ethyl-1-ethoxymethyl-6-(3,5-dimethylphenylthio)uracil
TL;DR: 5-Ethyl-1-ethoxymethyl-6-(3,5-dimethylphenylthio)uracil (CAS 136011-44-4) 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-(3,5-dimethylphenyl)sulfanyl-1-(ethoxymethyl)-5-ethylpyrimidine-2,4-dione
Also Known As: E-EPU-dM, HEPT deriv., 1-EtOMe-6XylylS-5Et U, 5-Ethyl-1-ethoxymethyl-6-(3,5-dimethylphenylthio)uracil, 5-Ethyl-1-(ethoxymethyl)-6-[(3,5-dimethylphenyl)thio]uracil
| Molecular Formula | C17H22N2O3S |
|---|---|
| Molecular Weight | 334.14 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 83.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 334.1351 |
| Heavy Atoms | 23 |
| Complexity | 482.0 |
Chemical Identifiers
| CAS Number | 136011-44-4 |
|---|---|
| SMILES | CCC1=C(N(C(=O)NC1=O)COCC)SC2=CC(=CC(=C2)C)C |
| InChIKey | BXAUKCWSBUACBG-UHFFFAOYSA-N |
Product Overview
5-Ethyl-1-ethoxymethyl-6-(3,5-dimethylphenylthio)uracil (CAS 136011-44-4), with molecular formula C17H22N2O3S and molecular weight 334.14 g/mol. IUPAC: 6-(3,5-dimethylphenyl)sulfanyl-1-(ethoxymethyl)-5-ethylpyrimidine-2,4-dione.
Chemical Property Profile of 5-Ethyl-1-ethoxymethyl-6-(3,5-dimethylphenylthio)uracil
Property Insights of 5-Ethyl-1-ethoxymethyl-6-(3,5-dimethylphenylthio)uracil
The XLogP value of 3.3 indicates that 5-Ethyl-1-ethoxymethyl-6-(3,5-dimethylphenylthio)uracil is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Ethyl-1-ethoxymethyl-6-(3,5-dimethylphenylthio)uracil. Following Lipinski's Rule of Five, 5-Ethyl-1-ethoxymethyl-6-(3,5-dimethylphenylthio)uracil has 1 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-Ethyl-1-ethoxymethyl-6-(3,5-dimethylphenylthio)uracil?
The CAS number of 5-Ethyl-1-ethoxymethyl-6-(3,5-dimethylphenylthio)uracil is 136011-44-4.
What is the molecular formula of 5-Ethyl-1-ethoxymethyl-6-(3,5-dimethylphenylthio)uracil?
The molecular formula of 5-Ethyl-1-ethoxymethyl-6-(3,5-dimethylphenylthio)uracil is C17H22N2O3S.
What is the molecular weight of 5-Ethyl-1-ethoxymethyl-6-(3,5-dimethylphenylthio)uracil?
The molecular weight of 5-Ethyl-1-ethoxymethyl-6-(3,5-dimethylphenylthio)uracil is 334.14 g/mol.
Where can I buy 5-Ethyl-1-ethoxymethyl-6-(3,5-dimethylphenylthio)uracil?
You can request a quote for 5-Ethyl-1-ethoxymethyl-6-(3,5-dimethylphenylthio)uracil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Ethyl-1-ethoxymethyl-6-(3,5-dimethylphenylthio)uracil?
Yes, KEHONG BIO provides custom synthesis services for 5-Ethyl-1-ethoxymethyl-6-(3,5-dimethylphenylthio)uracil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.