Diethyl (2,6-dichloro-3-pyridylaminomethylene)malonate
TL;DR: Diethyl (2,6-dichloro-3-pyridylaminomethylene)malonate (CAS 139087-02-8) is a chemical compound with molecular formula C13H14Cl2N2O4 and molecular weight 332.03305 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl 2-[[(2,6-dichloro-3-pyridinyl)amino]methylidene]propanedioate
Also Known As: DIETHYL (2,6-DICHLORO-3-PYRIDYLAMINOMETHYLENE)MALONATE, Diethyl 2-[[(2,6-dichloropyridin-3-yl)amino]methylidene]propanedioate, 1,3-diethyl 2-{[(2,6-dichloropyridin-3-yl)amino]methylidene}propanedioate, 660-822-6
Technical Specifications
| Molecular Formula | C13H14Cl2N2O4 |
| Molecular Weight | 332.03305 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 77.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 332.03305 Da |
| Heavy Atoms | 21 |
| Complexity | 384.0 |
| SMILES | CCOC(=O)C(=CNC1=C(N=C(C=C1)Cl)Cl)C(=O)OCC |
| InChIKey | HAWCRNYPYOYBBF-UHFFFAOYSA-N |
Chemical Property Profile of Diethyl (2,6-dichloro-3-pyridylaminomethylene)malonate
Property Insights of Diethyl (2,6-dichloro-3-pyridylaminomethylene)malonate
The XLogP value of 4.1 indicates that Diethyl (2,6-dichloro-3-pyridylaminomethylene)malonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl (2,6-dichloro-3-pyridylaminomethylene)malonate. Following Lipinski's Rule of Five, Diethyl (2,6-dichloro-3-pyridylaminomethylene)malonate 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
What is the CAS number of Diethyl (2,6-dichloro-3-pyridylaminomethylene)malonate?
The CAS number of Diethyl (2,6-dichloro-3-pyridylaminomethylene)malonate is 139087-02-8.
What is the molecular formula of Diethyl (2,6-dichloro-3-pyridylaminomethylene)malonate?
The molecular formula of Diethyl (2,6-dichloro-3-pyridylaminomethylene)malonate is C13H14Cl2N2O4.
What is the molecular weight of Diethyl (2,6-dichloro-3-pyridylaminomethylene)malonate?
The molecular weight of Diethyl (2,6-dichloro-3-pyridylaminomethylene)malonate is 332.03305 g/mol.
Where can I buy Diethyl (2,6-dichloro-3-pyridylaminomethylene)malonate?
You can request a quote for Diethyl (2,6-dichloro-3-pyridylaminomethylene)malonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diethyl (2,6-dichloro-3-pyridylaminomethylene)malonate?
Yes, CoreyChem provides custom synthesis services for Diethyl (2,6-dichloro-3-pyridylaminomethylene)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.