Dimethyl 1-phenyl-1H-1,2,3-triazole-4,5-dicarboxylate
TL;DR: Dimethyl 1-phenyl-1H-1,2,3-triazole-4,5-dicarboxylate (CAS 17304-69-7) is a chemical compound with molecular formula C12H11N3O4 and molecular weight 261.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 1-phenyltriazole-4,5-dicarboxylate
Also Known As: ChemDiv3_014609, Dimethyl 1-phenyl-1H-1,2,3-triazole-4,5-dicarboxylate, dimethyl 1-phenyltriazole-4,5-dicarboxylate, IDI1_030407, 1H-1,2,3-Triazole-4,5-dicarboxylicacid, 1-phenyl-, 4,5-dimethyl ester
| Molecular Formula | C12H11N3O4 |
|---|---|
| Molecular Weight | 261.07 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 83.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 261.07495 |
| Heavy Atoms | 19 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 17304-69-7 |
|---|---|
| SMILES | COC(=O)C1=C(N(N=N1)C2=CC=CC=C2)C(=O)OC |
| InChIKey | KCKQEVLPVNRLNX-UHFFFAOYSA-N |
Product Overview
Dimethyl 1-phenyl-1H-1,2,3-triazole-4,5-dicarboxylate (CAS 17304-69-7), with molecular formula C12H11N3O4 and molecular weight 261.07 g/mol. IUPAC: dimethyl 1-phenyltriazole-4,5-dicarboxylate.
Chemical Property Profile of Dimethyl 1-phenyl-1H-1,2,3-triazole-4,5-dicarboxylate
Property Insights of Dimethyl 1-phenyl-1H-1,2,3-triazole-4,5-dicarboxylate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 1-phenyl-1H-1,2,3-triazole-4,5-dicarboxylate. The TPSA of 83.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 1-phenyl-1H-1,2,3-triazole-4,5-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl 1-phenyl-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-phenyl-1H-1,2,3-triazole-4,5-dicarboxylate?
The CAS number of Dimethyl 1-phenyl-1H-1,2,3-triazole-4,5-dicarboxylate is 17304-69-7.
What is the molecular formula of Dimethyl 1-phenyl-1H-1,2,3-triazole-4,5-dicarboxylate?
The molecular formula of Dimethyl 1-phenyl-1H-1,2,3-triazole-4,5-dicarboxylate is C12H11N3O4.
What is the molecular weight of Dimethyl 1-phenyl-1H-1,2,3-triazole-4,5-dicarboxylate?
The molecular weight of Dimethyl 1-phenyl-1H-1,2,3-triazole-4,5-dicarboxylate is 261.07 g/mol.
Where can I buy Dimethyl 1-phenyl-1H-1,2,3-triazole-4,5-dicarboxylate?
You can request a quote for Dimethyl 1-phenyl-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-phenyl-1H-1,2,3-triazole-4,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 1-phenyl-1H-1,2,3-triazole-4,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.