1,3-Diethyl 2-(((5-methyl-2-pyridinyl)amino)methylene)propanedioate
TL;DR: 1,3-Diethyl 2-(((5-methyl-2-pyridinyl)amino)methylene)propanedioate (CAS 19143-24-9) is a chemical compound with molecular formula C14H18N2O4 and molecular weight 278.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[[(5-methyl-2-pyridinyl)amino]methylidene]propanedioate
Also Known As: diethyl 2-[[(5-methylpyridin-2-yl)amino]methylidene]propanedioate, J3.615.703H, ((5-METHYL-2-PYRIDINYLAMINO)METHYLENE)MALONIC ACID DIETHYL ESTER, diethyl{[(5-methylpyridin-2-yl)amino]methylene}malonate, ((5-Methyl-2-pyridinylamino)methylene)malonicaciddiethylester
| Molecular Formula | C14H18N2O4 |
|---|---|
| Molecular Weight | 278.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 77.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 278.12665 |
| Heavy Atoms | 20 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 19143-24-9 |
|---|---|
| SMILES | CCOC(=O)C(=CNC1=NC=C(C=C1)C)C(=O)OCC |
| InChIKey | HATYTWYOBNWNPP-UHFFFAOYSA-N |
Product Overview
1,3-Diethyl 2-(((5-methyl-2-pyridinyl)amino)methylene)propanedioate (CAS 19143-24-9), with molecular formula C14H18N2O4 and molecular weight 278.13 g/mol. IUPAC: diethyl 2-[[(5-methyl-2-pyridinyl)amino]methylidene]propanedioate.
Chemical Property Profile of 1,3-Diethyl 2-(((5-methyl-2-pyridinyl)amino)methylene)propanedioate
Property Insights of 1,3-Diethyl 2-(((5-methyl-2-pyridinyl)amino)methylene)propanedioate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Diethyl 2-(((5-methyl-2-pyridinyl)amino)methylene)propanedioate. The TPSA of 77.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Diethyl 2-(((5-methyl-2-pyridinyl)amino)methylene)propanedioate. Following Lipinski's Rule of Five, 1,3-Diethyl 2-(((5-methyl-2-pyridinyl)amino)methylene)propanedioate has 1 hydrogen bond donor(s) and 6 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 1,3-Diethyl 2-(((5-methyl-2-pyridinyl)amino)methylene)propanedioate?
The CAS number of 1,3-Diethyl 2-(((5-methyl-2-pyridinyl)amino)methylene)propanedioate is 19143-24-9.
What is the molecular formula of 1,3-Diethyl 2-(((5-methyl-2-pyridinyl)amino)methylene)propanedioate?
The molecular formula of 1,3-Diethyl 2-(((5-methyl-2-pyridinyl)amino)methylene)propanedioate is C14H18N2O4.
What is the molecular weight of 1,3-Diethyl 2-(((5-methyl-2-pyridinyl)amino)methylene)propanedioate?
The molecular weight of 1,3-Diethyl 2-(((5-methyl-2-pyridinyl)amino)methylene)propanedioate is 278.13 g/mol.
Where can I buy 1,3-Diethyl 2-(((5-methyl-2-pyridinyl)amino)methylene)propanedioate?
You can request a quote for 1,3-Diethyl 2-(((5-methyl-2-pyridinyl)amino)methylene)propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Diethyl 2-(((5-methyl-2-pyridinyl)amino)methylene)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diethyl 2-(((5-methyl-2-pyridinyl)amino)methylene)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.