Ethyl 2-(ethylsulfanyl)-6-methylpyrimidin-4-yl ethylphosphonate
TL;DR: Ethyl 2-(ethylsulfanyl)-6-methylpyrimidin-4-yl ethylphosphonate (CAS 25537-46-6) is a chemical compound with molecular formula C11H19N2O3PS and molecular weight 290.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[ethoxy(ethyl)phosphoryl]oxy-2-ethylsulfanyl-6-methylpyrimidine
Also Known As: Bayer 46676, BAY 46676, ENT 25,819, AI3-25819, ethyl 2-(ethylsulfanyl)-6-methylpyrimidin-4-yl ethylphosphonate
| Molecular Formula | C11H19N2O3PS |
|---|---|
| Molecular Weight | 290.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 86.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 290.0854 |
| Heavy Atoms | 18 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 25537-46-6 |
|---|---|
| SMILES | CCOP(=O)(CC)OC1=NC(=NC(=C1)C)SCC |
| InChIKey | VILCCVHHUUHGNG-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(ethylsulfanyl)-6-methylpyrimidin-4-yl ethylphosphonate (CAS 25537-46-6), with molecular formula C11H19N2O3PS and molecular weight 290.09 g/mol. IUPAC: 4-[ethoxy(ethyl)phosphoryl]oxy-2-ethylsulfanyl-6-methylpyrimidine.
Chemical Property Profile of Ethyl 2-(ethylsulfanyl)-6-methylpyrimidin-4-yl ethylphosphonate
Property Insights of Ethyl 2-(ethylsulfanyl)-6-methylpyrimidin-4-yl ethylphosphonate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(ethylsulfanyl)-6-methylpyrimidin-4-yl ethylphosphonate. The TPSA of 86.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(ethylsulfanyl)-6-methylpyrimidin-4-yl ethylphosphonate. Following Lipinski's Rule of Five, Ethyl 2-(ethylsulfanyl)-6-methylpyrimidin-4-yl ethylphosphonate has 0 hydrogen bond donor(s) and 6 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 Ethyl 2-(ethylsulfanyl)-6-methylpyrimidin-4-yl ethylphosphonate?
The CAS number of Ethyl 2-(ethylsulfanyl)-6-methylpyrimidin-4-yl ethylphosphonate is 25537-46-6.
What is the molecular formula of Ethyl 2-(ethylsulfanyl)-6-methylpyrimidin-4-yl ethylphosphonate?
The molecular formula of Ethyl 2-(ethylsulfanyl)-6-methylpyrimidin-4-yl ethylphosphonate is C11H19N2O3PS.
What is the molecular weight of Ethyl 2-(ethylsulfanyl)-6-methylpyrimidin-4-yl ethylphosphonate?
The molecular weight of Ethyl 2-(ethylsulfanyl)-6-methylpyrimidin-4-yl ethylphosphonate is 290.09 g/mol.
Where can I buy Ethyl 2-(ethylsulfanyl)-6-methylpyrimidin-4-yl ethylphosphonate?
You can request a quote for Ethyl 2-(ethylsulfanyl)-6-methylpyrimidin-4-yl ethylphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(ethylsulfanyl)-6-methylpyrimidin-4-yl ethylphosphonate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(ethylsulfanyl)-6-methylpyrimidin-4-yl ethylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.