ethyl 1,2-diamino-4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydro-3-pyridinecarboxylate
TL;DR: ethyl 1,2-diamino-4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydro-3-pyridinecarboxylate (CAS 106527-24-6) is a chemical compound with molecular formula C15H13ClN4O3 and molecular weight 332.06763 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 1,2-diamino-4-(4-chlorophenyl)-5-cyano-6-oxopyridine-3-carboxylate
Also Known As: ethyl 1,2-diamino-4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydro-3-pyridinecarboxylate, 7L-733, ethyl 1,2-diamino-4-(4-chlorophenyl)-5-cyano-6-oxopyridine-3-carboxylate, ethyl 1,2-diamino-4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyridine-3-carboxylate, ethyl 1,2-diamino-4-(4-chlorophenyl)-5-cyano-6-oxo-pyridine-3-carboxylate
Technical Specifications
| Molecular Formula | C15H13ClN4O3 |
| Molecular Weight | 332.06763 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 122.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 332.06763 Da |
| Heavy Atoms | 23 |
| Complexity | 638.0 |
| SMILES | CCOC(=O)C1=C(N(C(=O)C(=C1C2=CC=C(C=C2)Cl)C#N)N)N |
| InChIKey | MQSMNFPBYMXFMN-UHFFFAOYSA-N |
Chemical Property Profile of ethyl 1,2-diamino-4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydro-3-pyridinecarboxylate
Property Insights of ethyl 1,2-diamino-4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydro-3-pyridinecarboxylate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 1,2-diamino-4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydro-3-pyridinecarboxylate. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 1,2-diamino-4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydro-3-pyridinecarboxylate. Following Lipinski's Rule of Five, ethyl 1,2-diamino-4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydro-3-pyridinecarboxylate has 2 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 ethyl 1,2-diamino-4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydro-3-pyridinecarboxylate?
The CAS number of ethyl 1,2-diamino-4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydro-3-pyridinecarboxylate is 106527-24-6.
What is the molecular formula of ethyl 1,2-diamino-4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydro-3-pyridinecarboxylate?
The molecular formula of ethyl 1,2-diamino-4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydro-3-pyridinecarboxylate is C15H13ClN4O3.
What is the molecular weight of ethyl 1,2-diamino-4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydro-3-pyridinecarboxylate?
The molecular weight of ethyl 1,2-diamino-4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydro-3-pyridinecarboxylate is 332.06763 g/mol.
Where can I buy ethyl 1,2-diamino-4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydro-3-pyridinecarboxylate?
You can request a quote for ethyl 1,2-diamino-4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydro-3-pyridinecarboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl 1,2-diamino-4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydro-3-pyridinecarboxylate?
Yes, CoreyChem provides custom synthesis services for ethyl 1,2-diamino-4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydro-3-pyridinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.