diethyl 2-(((6-acetamido-2-(methylthio)pyrimidin-4-yl)amino)methylene)malonate
TL;DR: diethyl 2-(((6-acetamido-2-(methylthio)pyrimidin-4-yl)amino)methylene)malonate (CAS 36707-43-4) is a chemical compound with molecular formula C15H20N4O5S and molecular weight 368.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[[(6-acetamido-2-methylsulfanylpyrimidin-4-yl)amino]methylidene]propanedioate
Also Known As: diethyl 2-(((6-acetamido-2-(methylthio)pyrimidin-4-yl)amino)methylene)malonate, diethyl 2-[[(6-acetamido-2-methylsulfanylpyrimidin-4-yl)amino]methylidene]propanedioate, 1,3-diethyl 2-({[6-acetamido-2-(methylsulfanyl)pyrimidin-4-yl]amino}methylidene)propanedioate, Diethyl ({[6-acetamido-2-(methylsulfanyl)pyrimidin-4-yl]amino}methylidene)propanedioate, diethyl 2-(((6-(acetylamino)-2-(methylsulfanyl)-4-pyrimidinyl)amino)methylene)malonate
| Molecular Formula | C15H20N4O5S |
|---|---|
| Molecular Weight | 368.12 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 368.11545 |
| Heavy Atoms | 25 |
| Complexity | 494.0 |
Chemical Identifiers
| CAS Number | 36707-43-4 |
|---|---|
| SMILES | CCOC(=O)C(=CNC1=CC(=NC(=N1)SC)NC(=O)C)C(=O)OCC |
| InChIKey | QULNWYVDFUXPDN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
diethyl 2-(((6-acetamido-2-(methylthio)pyrimidin-4-yl)amino)methylene)malonate (CAS 36707-43-4), with molecular formula C15H20N4O5S and molecular weight 368.12 g/mol. IUPAC: diethyl 2-[[(6-acetamido-2-methylsulfanylpyrimidin-4-yl)amino]methylidene]propanedioate.
Chemical Property Profile of diethyl 2-(((6-acetamido-2-(methylthio)pyrimidin-4-yl)amino)methylene)malonate
Property Insights of diethyl 2-(((6-acetamido-2-(methylthio)pyrimidin-4-yl)amino)methylene)malonate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for diethyl 2-(((6-acetamido-2-(methylthio)pyrimidin-4-yl)amino)methylene)malonate. The TPSA of 145.0 Ų indicates high polarity, suggesting diethyl 2-(((6-acetamido-2-(methylthio)pyrimidin-4-yl)amino)methylene)malonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, diethyl 2-(((6-acetamido-2-(methylthio)pyrimidin-4-yl)amino)methylene)malonate 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 diethyl 2-(((6-acetamido-2-(methylthio)pyrimidin-4-yl)amino)methylene)malonate?
The CAS number of diethyl 2-(((6-acetamido-2-(methylthio)pyrimidin-4-yl)amino)methylene)malonate is 36707-43-4.
What is the molecular formula of diethyl 2-(((6-acetamido-2-(methylthio)pyrimidin-4-yl)amino)methylene)malonate?
The molecular formula of diethyl 2-(((6-acetamido-2-(methylthio)pyrimidin-4-yl)amino)methylene)malonate is C15H20N4O5S.
What is the molecular weight of diethyl 2-(((6-acetamido-2-(methylthio)pyrimidin-4-yl)amino)methylene)malonate?
The molecular weight of diethyl 2-(((6-acetamido-2-(methylthio)pyrimidin-4-yl)amino)methylene)malonate is 368.12 g/mol.
Where can I buy diethyl 2-(((6-acetamido-2-(methylthio)pyrimidin-4-yl)amino)methylene)malonate?
You can request a quote for diethyl 2-(((6-acetamido-2-(methylthio)pyrimidin-4-yl)amino)methylene)malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for diethyl 2-(((6-acetamido-2-(methylthio)pyrimidin-4-yl)amino)methylene)malonate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 2-(((6-acetamido-2-(methylthio)pyrimidin-4-yl)amino)methylene)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.