![diethyl 2-[[(6-amino-2-methylsulfanylpyrimidin-4-yl)amino]methylidene]propanedioate structure](/static/products/3670/36707-42-3.webp)
diethyl 2-[[(6-amino-2-methylsulfanylpyrimidin-4-yl)amino]methylidene]propanedioate
TL;DR: diethyl 2-[[(6-amino-2-methylsulfanylpyrimidin-4-yl)amino]methylidene]propanedioate (CAS 36707-42-3) is a chemical compound with molecular formula C13H18N4O4S and molecular weight 326.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[[(6-amino-2-methylsulfanylpyrimidin-4-yl)amino]methylidene]propanedioate
Also Known As: diethyl 2-[[(6-amino-2-methylsulfanylpyrimidin-4-yl)amino]methylidene]propanedioate, diethyl 2-[[(6-amino-2-methylsulfanylpyrimidin-4-yl)amino]me, Diethyl ({[6-amino-2-(methylsulfanyl)pyrimidin-4-yl]amino}methylidene)propanedioate, diethyl 2-(((6-amino-2-(methylsulfanyl)-4-pyrimidinyl)amino)methylene)malonate
| Molecular Formula | C13H18N4O4S |
|---|---|
| Molecular Weight | 326.10 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 326.1049 |
| Heavy Atoms | 22 |
| Complexity | 399.0 |
Chemical Identifiers
| CAS Number | 36707-42-3 |
|---|---|
| SMILES | CCOC(=O)C(=CNC1=NC(=NC(=C1)N)SC)C(=O)OCC |
| InChIKey | LPOCZNCNWDOCNI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
diethyl 2-[[(6-amino-2-methylsulfanylpyrimidin-4-yl)amino]methylidene]propanedioate (CAS 36707-42-3), with molecular formula C13H18N4O4S and molecular weight 326.10 g/mol. IUPAC: diethyl 2-[[(6-amino-2-methylsulfanylpyrimidin-4-yl)amino]methylidene]propanedioate.
Chemical Property Profile of diethyl 2-[[(6-amino-2-methylsulfanylpyrimidin-4-yl)amino]methylidene]propanedioate
Property Insights of diethyl 2-[[(6-amino-2-methylsulfanylpyrimidin-4-yl)amino]methylidene]propanedioate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for diethyl 2-[[(6-amino-2-methylsulfanylpyrimidin-4-yl)amino]methylidene]propanedioate. The TPSA of 142.0 Ų indicates high polarity, suggesting diethyl 2-[[(6-amino-2-methylsulfanylpyrimidin-4-yl)amino]methylidene]propanedioate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, diethyl 2-[[(6-amino-2-methylsulfanylpyrimidin-4-yl)amino]methylidene]propanedioate 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-amino-2-methylsulfanylpyrimidin-4-yl)amino]methylidene]propanedioate?
The CAS number of diethyl 2-[[(6-amino-2-methylsulfanylpyrimidin-4-yl)amino]methylidene]propanedioate is 36707-42-3.
What is the molecular formula of diethyl 2-[[(6-amino-2-methylsulfanylpyrimidin-4-yl)amino]methylidene]propanedioate?
The molecular formula of diethyl 2-[[(6-amino-2-methylsulfanylpyrimidin-4-yl)amino]methylidene]propanedioate is C13H18N4O4S.
What is the molecular weight of diethyl 2-[[(6-amino-2-methylsulfanylpyrimidin-4-yl)amino]methylidene]propanedioate?
The molecular weight of diethyl 2-[[(6-amino-2-methylsulfanylpyrimidin-4-yl)amino]methylidene]propanedioate is 326.10 g/mol.
Where can I buy diethyl 2-[[(6-amino-2-methylsulfanylpyrimidin-4-yl)amino]methylidene]propanedioate?
You can request a quote for diethyl 2-[[(6-amino-2-methylsulfanylpyrimidin-4-yl)amino]methylidene]propanedioate 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-amino-2-methylsulfanylpyrimidin-4-yl)amino]methylidene]propanedioate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 2-[[(6-amino-2-methylsulfanylpyrimidin-4-yl)amino]methylidene]propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.