diethyl 1-(4-chlorophenyl)-1H-1,2,3-triazole-4,5-dicarboxylate
TL;DR: diethyl 1-(4-chlorophenyl)-1H-1,2,3-triazole-4,5-dicarboxylate (CAS 887224-79-5) is a chemical compound with molecular formula C14H14ClN3O4 and molecular weight 323.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 1-(4-chlorophenyl)triazole-4,5-dicarboxylate
Also Known As: diethyl 1-(4-chlorophenyl)-1H-1,2,3-triazole-4,5-dicarboxylate, diethyl 1-(4-chlorophenyl)triazole-4,5-dicarboxylate, 4,5-diethyl 1-(4-chlorophenyl)-1H-1,2,3-triazole-4,5-dicarboxylate, J3.431.670H, F1609-0266
| Molecular Formula | C14H14ClN3O4 |
|---|---|
| Molecular Weight | 323.07 g/mol |
| LogP | 2.2741 |
| Topological Polar Surface Area | 83.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 323.0673 |
| Heavy Atoms | 22 |
| Complexity | 681.8964 |
Chemical Identifiers
| CAS Number | 887224-79-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(N=N1)C2=CC=C(C=C2)Cl)C(=O)OCC |
Product Overview
diethyl 1-(4-chlorophenyl)-1H-1,2,3-triazole-4,5-dicarboxylate (CAS 887224-79-5), with molecular formula C14H14ClN3O4 and molecular weight 323.07 g/mol. IUPAC: diethyl 1-(4-chlorophenyl)triazole-4,5-dicarboxylate.
Chemical Property Profile of diethyl 1-(4-chlorophenyl)-1H-1,2,3-triazole-4,5-dicarboxylate
Property Insights of diethyl 1-(4-chlorophenyl)-1H-1,2,3-triazole-4,5-dicarboxylate
The XLogP value of 2.2741 suggests moderate lipophilicity, balancing water solubility and membrane permeability for diethyl 1-(4-chlorophenyl)-1H-1,2,3-triazole-4,5-dicarboxylate. The TPSA of 83.31 Ų falls within the moderate polarity range, balancing permeability and solubility for diethyl 1-(4-chlorophenyl)-1H-1,2,3-triazole-4,5-dicarboxylate. Following Lipinski's Rule of Five, diethyl 1-(4-chlorophenyl)-1H-1,2,3-triazole-4,5-dicarboxylate has 0 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 diethyl 1-(4-chlorophenyl)-1H-1,2,3-triazole-4,5-dicarboxylate?
The CAS number of diethyl 1-(4-chlorophenyl)-1H-1,2,3-triazole-4,5-dicarboxylate is 887224-79-5.
What is the molecular formula of diethyl 1-(4-chlorophenyl)-1H-1,2,3-triazole-4,5-dicarboxylate?
The molecular formula of diethyl 1-(4-chlorophenyl)-1H-1,2,3-triazole-4,5-dicarboxylate is C14H14ClN3O4.
What is the molecular weight of diethyl 1-(4-chlorophenyl)-1H-1,2,3-triazole-4,5-dicarboxylate?
The molecular weight of diethyl 1-(4-chlorophenyl)-1H-1,2,3-triazole-4,5-dicarboxylate is 323.07 g/mol.
Where can I buy diethyl 1-(4-chlorophenyl)-1H-1,2,3-triazole-4,5-dicarboxylate?
You can request a quote for diethyl 1-(4-chlorophenyl)-1H-1,2,3-triazole-4,5-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for diethyl 1-(4-chlorophenyl)-1H-1,2,3-triazole-4,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 1-(4-chlorophenyl)-1H-1,2,3-triazole-4,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.