dimethyl 1-(4-chlorophenyl)-1H-1,2,3-triazole-4,5-dicarboxylate
TL;DR: dimethyl 1-(4-chlorophenyl)-1H-1,2,3-triazole-4,5-dicarboxylate (CAS 129748-78-3) is a chemical compound with molecular formula C12H10ClN3O4 and molecular weight 295.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 1-(4-chlorophenyl)triazole-4,5-dicarboxylate
Also Known As: dimethyl 1-(4-chlorophenyl)-1H-1,2,3-triazole-4,5-dicarboxylate, dimethyl 1-(4-chlorophenyl)triazole-4,5-dicarboxylate, 4,5-dimethyl 1-(4-chlorophenyl)-1H-1,2,3-triazole-4,5-dicarboxylate, C337-0263, F1608-0295
| Molecular Formula | C12H10ClN3O4 |
|---|---|
| Molecular Weight | 295.04 g/mol |
| LogP | 1.4939 |
| Topological Polar Surface Area | 83.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.03598 |
| Heavy Atoms | 20 |
| Complexity | 651.2221 |
Chemical Identifiers
| CAS Number | 129748-78-3 |
|---|---|
| SMILES | COC(=O)C1=C(N(N=N1)C2=CC=C(C=C2)Cl)C(=O)OC |
Product Overview
dimethyl 1-(4-chlorophenyl)-1H-1,2,3-triazole-4,5-dicarboxylate (CAS 129748-78-3), with molecular formula C12H10ClN3O4 and molecular weight 295.04 g/mol. IUPAC: dimethyl 1-(4-chlorophenyl)triazole-4,5-dicarboxylate.
Chemical Property Profile of dimethyl 1-(4-chlorophenyl)-1H-1,2,3-triazole-4,5-dicarboxylate
Property Insights of dimethyl 1-(4-chlorophenyl)-1H-1,2,3-triazole-4,5-dicarboxylate
The XLogP value of 1.4939 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl 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 dimethyl 1-(4-chlorophenyl)-1H-1,2,3-triazole-4,5-dicarboxylate. Following Lipinski's Rule of Five, dimethyl 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 dimethyl 1-(4-chlorophenyl)-1H-1,2,3-triazole-4,5-dicarboxylate?
The CAS number of dimethyl 1-(4-chlorophenyl)-1H-1,2,3-triazole-4,5-dicarboxylate is 129748-78-3.
What is the molecular formula of dimethyl 1-(4-chlorophenyl)-1H-1,2,3-triazole-4,5-dicarboxylate?
The molecular formula of dimethyl 1-(4-chlorophenyl)-1H-1,2,3-triazole-4,5-dicarboxylate is C12H10ClN3O4.
What is the molecular weight of dimethyl 1-(4-chlorophenyl)-1H-1,2,3-triazole-4,5-dicarboxylate?
The molecular weight of dimethyl 1-(4-chlorophenyl)-1H-1,2,3-triazole-4,5-dicarboxylate is 295.04 g/mol.
Where can I buy dimethyl 1-(4-chlorophenyl)-1H-1,2,3-triazole-4,5-dicarboxylate?
You can request a quote for dimethyl 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 dimethyl 1-(4-chlorophenyl)-1H-1,2,3-triazole-4,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 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.