triethyl 4,5-dihydro-1H-pyrazole-3,4,5-tricarboxylate
TL;DR: triethyl 4,5-dihydro-1H-pyrazole-3,4,5-tricarboxylate (CAS 141035-02-1) is a chemical compound with molecular formula C12H18N2O6 and molecular weight 286.1165 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
triethyl 4,5-dihydro-1H-pyrazole-3,4,5-tricarboxylate
Also Known As: triethyl 4,5-dihydro-1H-pyrazole-3,4,5-tricarboxylate, J2.702.325H, 3,4,5-triethyl 4,5-dihydro-1H-pyrazole-3,4,5-tricarboxylate, 2-Pyrazoline-3,4,5-tricarboxylic acid triethyl ester, 4,5-Dihydro-1H-pyrazole-3,4,5-tri(carboxylic acid ethyl) ester
Technical Specifications
| Molecular Formula | C12H18N2O6 |
| Molecular Weight | 286.1165 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 286.1165 Da |
| Heavy Atoms | 20 |
| Complexity | 420.0 |
| SMILES | CCOC(=O)C1C(NN=C1C(=O)OCC)C(=O)OCC |
| InChIKey | XOMMRZJKTZKNTJ-UHFFFAOYSA-N |
Chemical Property Profile of triethyl 4,5-dihydro-1H-pyrazole-3,4,5-tricarboxylate
Property Insights of triethyl 4,5-dihydro-1H-pyrazole-3,4,5-tricarboxylate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for triethyl 4,5-dihydro-1H-pyrazole-3,4,5-tricarboxylate. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for triethyl 4,5-dihydro-1H-pyrazole-3,4,5-tricarboxylate. Following Lipinski's Rule of Five, triethyl 4,5-dihydro-1H-pyrazole-3,4,5-tricarboxylate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of triethyl 4,5-dihydro-1H-pyrazole-3,4,5-tricarboxylate?
The CAS number of triethyl 4,5-dihydro-1H-pyrazole-3,4,5-tricarboxylate is 141035-02-1.
What is the molecular formula of triethyl 4,5-dihydro-1H-pyrazole-3,4,5-tricarboxylate?
The molecular formula of triethyl 4,5-dihydro-1H-pyrazole-3,4,5-tricarboxylate is C12H18N2O6.
What is the molecular weight of triethyl 4,5-dihydro-1H-pyrazole-3,4,5-tricarboxylate?
The molecular weight of triethyl 4,5-dihydro-1H-pyrazole-3,4,5-tricarboxylate is 286.1165 g/mol.
Where can I buy triethyl 4,5-dihydro-1H-pyrazole-3,4,5-tricarboxylate?
You can request a quote for triethyl 4,5-dihydro-1H-pyrazole-3,4,5-tricarboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for triethyl 4,5-dihydro-1H-pyrazole-3,4,5-tricarboxylate?
Yes, CoreyChem provides custom synthesis services for triethyl 4,5-dihydro-1H-pyrazole-3,4,5-tricarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.