4,6-Bis(4-ethoxybenzylthio)-5-nitropyrimidine
TL;DR: 4,6-Bis(4-ethoxybenzylthio)-5-nitropyrimidine (CAS 325957-76-4) is a chemical compound with molecular formula C22H23N3O4S2 and molecular weight 457.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-bis[(4-ethoxyphenyl)methylsulfanyl]-5-nitropyrimidine
Also Known As: 4,6-Bis(4-ethoxybenzylthio)-5-nitropyrimidine, BAS 00827530, 4,6-bis[(4-ethoxyphenyl)methylsulfanyl]-5-nitropyrimidine, 4,6-Bis[(4-ethoxybenzyl)sulfanyl]-5-nitropyrimidine, 4,6-bis((4-ethoxybenzyl)thio)-5-nitropyrimidine
| Molecular Formula | C22H23N3O4S2 |
|---|---|
| Molecular Weight | 457.11 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 457.113 |
| Heavy Atoms | 31 |
| Complexity | 485.0 |
Chemical Identifiers
| CAS Number | 325957-76-4 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)CSC2=C(C(=NC=N2)SCC3=CC=C(C=C3)OCC)[N+](=O)[O-] |
| InChIKey | PDFVJYFCEIFTOS-UHFFFAOYSA-N |
Product Overview
4,6-Bis(4-ethoxybenzylthio)-5-nitropyrimidine (CAS 325957-76-4), with molecular formula C22H23N3O4S2 and molecular weight 457.11 g/mol. IUPAC: 4,6-bis[(4-ethoxyphenyl)methylsulfanyl]-5-nitropyrimidine.
Chemical Property Profile of 4,6-Bis(4-ethoxybenzylthio)-5-nitropyrimidine
Property Insights of 4,6-Bis(4-ethoxybenzylthio)-5-nitropyrimidine
The XLogP value of 5.4 indicates that 4,6-Bis(4-ethoxybenzylthio)-5-nitropyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.0 Ų indicates high polarity, suggesting 4,6-Bis(4-ethoxybenzylthio)-5-nitropyrimidine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4,6-Bis(4-ethoxybenzylthio)-5-nitropyrimidine has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,6-Bis(4-ethoxybenzylthio)-5-nitropyrimidine?
The CAS number of 4,6-Bis(4-ethoxybenzylthio)-5-nitropyrimidine is 325957-76-4.
What is the molecular formula of 4,6-Bis(4-ethoxybenzylthio)-5-nitropyrimidine?
The molecular formula of 4,6-Bis(4-ethoxybenzylthio)-5-nitropyrimidine is C22H23N3O4S2.
What is the molecular weight of 4,6-Bis(4-ethoxybenzylthio)-5-nitropyrimidine?
The molecular weight of 4,6-Bis(4-ethoxybenzylthio)-5-nitropyrimidine is 457.11 g/mol.
Where can I buy 4,6-Bis(4-ethoxybenzylthio)-5-nitropyrimidine?
You can request a quote for 4,6-Bis(4-ethoxybenzylthio)-5-nitropyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Bis(4-ethoxybenzylthio)-5-nitropyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Bis(4-ethoxybenzylthio)-5-nitropyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.