2-((6-((Ethoxyoxoacetyl)amino)-4-pyrimidinyl)thio)ethyl ethyl ethanedioate
TL;DR: 2-((6-((Ethoxyoxoacetyl)amino)-4-pyrimidinyl)thio)ethyl ethyl ethanedioate (CAS 75274-24-7) is a chemical compound with molecular formula C14H17N3O7S and molecular weight 371.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-[6-[(2-ethoxy-2-oxoacetyl)amino]pyrimidin-4-yl]sulfanylbutan-2-yloxy]-2-oxoacetic acid
Also Known As: 2-((6-((Ethoxyoxoacetyl)amino)-4-pyrimidinyl)thio)ethyl ethyl ethanedioate, 4-Carbethoxy-carbonilamino-6-(beta-carbethoxy-carbonyloxy-ethylthio)-pyrimidine, Ethanedioic acid, 2-((6-((ethoxyoxoacetyl)amino)-4-pyrimidinyl)thio)ethyl ethyl ester, [(1-{[6-(2-Ethoxy-2-oxoacetamido)pyrimidin-4-yl]sulfanyl}butan-2-yl)oxy](oxo)acetic acid, {[1-({6-[2-Ethoxy(oxo)acetamido]pyrimidin-4-yl}sulfanyl)butan-2-yl]oxy}(oxo)acetic acid
| Molecular Formula | C14H17N3O7S |
|---|---|
| Molecular Weight | 371.08 g/mol |
| LogP | 0.4767 |
| Topological Polar Surface Area | 144.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 371.07874 |
| Heavy Atoms | 25 |
| Complexity | 653.0675 |
Chemical Identifiers
| CAS Number | 75274-24-7 |
|---|---|
| SMILES | CCC(CSC1=NC=NC(=C1)NC(=O)C(=O)OCC)OC(=O)C(=O)O |
Product Overview
2-((6-((Ethoxyoxoacetyl)amino)-4-pyrimidinyl)thio)ethyl ethyl ethanedioate (CAS 75274-24-7), with molecular formula C14H17N3O7S and molecular weight 371.08 g/mol. IUPAC: 2-[1-[6-[(2-ethoxy-2-oxoacetyl)amino]pyrimidin-4-yl]sulfanylbutan-2-yloxy]-2-oxoacetic acid.
Chemical Property Profile of 2-((6-((Ethoxyoxoacetyl)amino)-4-pyrimidinyl)thio)ethyl ethyl ethanedioate
Property Insights of 2-((6-((Ethoxyoxoacetyl)amino)-4-pyrimidinyl)thio)ethyl ethyl ethanedioate
The XLogP value of 0.4767 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((6-((Ethoxyoxoacetyl)amino)-4-pyrimidinyl)thio)ethyl ethyl ethanedioate. The TPSA of 144.78 Ų indicates high polarity, suggesting 2-((6-((Ethoxyoxoacetyl)amino)-4-pyrimidinyl)thio)ethyl ethyl ethanedioate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-((6-((Ethoxyoxoacetyl)amino)-4-pyrimidinyl)thio)ethyl ethyl ethanedioate has 2 hydrogen bond donor(s) and 9 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 2-((6-((Ethoxyoxoacetyl)amino)-4-pyrimidinyl)thio)ethyl ethyl ethanedioate?
The CAS number of 2-((6-((Ethoxyoxoacetyl)amino)-4-pyrimidinyl)thio)ethyl ethyl ethanedioate is 75274-24-7.
What is the molecular formula of 2-((6-((Ethoxyoxoacetyl)amino)-4-pyrimidinyl)thio)ethyl ethyl ethanedioate?
The molecular formula of 2-((6-((Ethoxyoxoacetyl)amino)-4-pyrimidinyl)thio)ethyl ethyl ethanedioate is C14H17N3O7S.
What is the molecular weight of 2-((6-((Ethoxyoxoacetyl)amino)-4-pyrimidinyl)thio)ethyl ethyl ethanedioate?
The molecular weight of 2-((6-((Ethoxyoxoacetyl)amino)-4-pyrimidinyl)thio)ethyl ethyl ethanedioate is 371.08 g/mol.
Where can I buy 2-((6-((Ethoxyoxoacetyl)amino)-4-pyrimidinyl)thio)ethyl ethyl ethanedioate?
You can request a quote for 2-((6-((Ethoxyoxoacetyl)amino)-4-pyrimidinyl)thio)ethyl ethyl ethanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((6-((Ethoxyoxoacetyl)amino)-4-pyrimidinyl)thio)ethyl ethyl ethanedioate?
Yes, KEHONG BIO provides custom synthesis services for 2-((6-((Ethoxyoxoacetyl)amino)-4-pyrimidinyl)thio)ethyl ethyl ethanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.