ethyl 4-amino-2-((2-oxo-2-((4-((2-pyrimidinylamino)sulfonyl)phenyl)amino)ethyl)sulfanyl)-5-pyrimidinecarboxylate
TL;DR: ethyl 4-amino-2-((2-oxo-2-((4-((2-pyrimidinylamino)sulfonyl)phenyl)amino)ethyl)sulfanyl)-5-pyrimidinecarboxylate (CAS 700855-46-5) is a chemical compound with molecular formula C19H19N7O5S2 and molecular weight 489.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-amino-2-[2-oxo-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]ethyl]sulfanylpyrimidine-5-carboxylate
Also Known As: ethyl 4-amino-2-((2-oxo-2-((4-((2-pyrimidinylamino)sulfonyl)phenyl)amino)ethyl)sulfanyl)-5-pyrimidinecarboxylate, ethyl 4-amino-2-((2-oxo-2-((4-(N-(pyrimidin-2-yl)sulfamoyl)phenyl)amino)ethyl)thio)pyrimidine-5-carboxylate, ethyl 4-amino-2-[(2-oxo-2-{[4-(pyrimidin-2-ylsulfamoyl)phenyl]amino}ethyl)sulfanyl]pyrimidine-5-carboxylate, ethyl 4-amino-2-[(N-{4-[(pyrimidin-2-ylamino)sulfonyl]phenyl}carbamoyl)methylt hio]pyrimidine-5-carboxylate, ethyl 4-amino-2-[2-oxo-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]ethyl]sulfanylpyrimidine-5-carboxylate
| Molecular Formula | C19H19N7O5S2 |
|---|---|
| Molecular Weight | 489.09 g/mol |
| LogP | 1.5571 |
| Topological Polar Surface Area | 179.15 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 489.0889 |
| Heavy Atoms | 33 |
| Complexity | 1239.1462 |
Chemical Identifiers
| CAS Number | 700855-46-5 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3 |
Product Overview
ethyl 4-amino-2-((2-oxo-2-((4-((2-pyrimidinylamino)sulfonyl)phenyl)amino)ethyl)sulfanyl)-5-pyrimidinecarboxylate (CAS 700855-46-5), with molecular formula C19H19N7O5S2 and molecular weight 489.09 g/mol. IUPAC: ethyl 4-amino-2-[2-oxo-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]ethyl]sulfanylpyrimidine-5-carboxylate.
Chemical Property Profile of ethyl 4-amino-2-((2-oxo-2-((4-((2-pyrimidinylamino)sulfonyl)phenyl)amino)ethyl)sulfanyl)-5-pyrimidinecarboxylate
Property Insights of ethyl 4-amino-2-((2-oxo-2-((4-((2-pyrimidinylamino)sulfonyl)phenyl)amino)ethyl)sulfanyl)-5-pyrimidinecarboxylate
The XLogP value of 1.5571 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-amino-2-((2-oxo-2-((4-((2-pyrimidinylamino)sulfonyl)phenyl)amino)ethyl)sulfanyl)-5-pyrimidinecarboxylate. The TPSA of 179.15 Ų indicates high polarity, suggesting ethyl 4-amino-2-((2-oxo-2-((4-((2-pyrimidinylamino)sulfonyl)phenyl)amino)ethyl)sulfanyl)-5-pyrimidinecarboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ethyl 4-amino-2-((2-oxo-2-((4-((2-pyrimidinylamino)sulfonyl)phenyl)amino)ethyl)sulfanyl)-5-pyrimidinecarboxylate has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 4-amino-2-((2-oxo-2-((4-((2-pyrimidinylamino)sulfonyl)phenyl)amino)ethyl)sulfanyl)-5-pyrimidinecarboxylate?
The CAS number of ethyl 4-amino-2-((2-oxo-2-((4-((2-pyrimidinylamino)sulfonyl)phenyl)amino)ethyl)sulfanyl)-5-pyrimidinecarboxylate is 700855-46-5.
What is the molecular formula of ethyl 4-amino-2-((2-oxo-2-((4-((2-pyrimidinylamino)sulfonyl)phenyl)amino)ethyl)sulfanyl)-5-pyrimidinecarboxylate?
The molecular formula of ethyl 4-amino-2-((2-oxo-2-((4-((2-pyrimidinylamino)sulfonyl)phenyl)amino)ethyl)sulfanyl)-5-pyrimidinecarboxylate is C19H19N7O5S2.
What is the molecular weight of ethyl 4-amino-2-((2-oxo-2-((4-((2-pyrimidinylamino)sulfonyl)phenyl)amino)ethyl)sulfanyl)-5-pyrimidinecarboxylate?
The molecular weight of ethyl 4-amino-2-((2-oxo-2-((4-((2-pyrimidinylamino)sulfonyl)phenyl)amino)ethyl)sulfanyl)-5-pyrimidinecarboxylate is 489.09 g/mol.
Where can I buy ethyl 4-amino-2-((2-oxo-2-((4-((2-pyrimidinylamino)sulfonyl)phenyl)amino)ethyl)sulfanyl)-5-pyrimidinecarboxylate?
You can request a quote for ethyl 4-amino-2-((2-oxo-2-((4-((2-pyrimidinylamino)sulfonyl)phenyl)amino)ethyl)sulfanyl)-5-pyrimidinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-amino-2-((2-oxo-2-((4-((2-pyrimidinylamino)sulfonyl)phenyl)amino)ethyl)sulfanyl)-5-pyrimidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-amino-2-((2-oxo-2-((4-((2-pyrimidinylamino)sulfonyl)phenyl)amino)ethyl)sulfanyl)-5-pyrimidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.