Diethyl 2-(tributylstannyl)-2H-1,2,3-triazole-4,5-dicarboxylate
TL;DR: Diethyl 2-(tributylstannyl)-2H-1,2,3-triazole-4,5-dicarboxylate (CAS 62676-59-9) is a chemical compound with molecular formula C20H37N3O4Sn and molecular weight 503.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 1-tributylstannyltriazole-4,5-dicarboxylate
Also Known As: diethyl 1-tributylstannyltriazole-4,5-dicarboxylate, diethyl 2-tributylstannyltriazole-4,5-dicarboxylate, Diethyl 2-(tributylstannyl)-2H-1,2,3-triazole-4,5-dicarboxylate, 2H-1,2,3-Triazole-4,5-dicarboxylic acid,2-(tributylstannyl)-,diethyl ester, RefChem:337808
| Molecular Formula | C20H37N3O4Sn |
|---|---|
| Molecular Weight | 503.18 g/mol |
| LogP | 4.8254 |
| Topological Polar Surface Area | 83.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 16 |
| Exact Mass | 503.1806 |
| Heavy Atoms | 28 |
| Complexity | 457.0 |
Chemical Identifiers
| CAS Number | 62676-59-9 |
|---|---|
| SMILES | CCCC[Sn](CCCC)(CCCC)N1C(=C(N=N1)C(=O)OCC)C(=O)OCC |
| InChIKey | LBWPSDGKNHOTCK-UHFFFAOYSA-M |
Product Overview
Diethyl 2-(tributylstannyl)-2H-1,2,3-triazole-4,5-dicarboxylate (CAS 62676-59-9), with molecular formula C20H37N3O4Sn and molecular weight 503.18 g/mol. IUPAC: diethyl 1-tributylstannyltriazole-4,5-dicarboxylate.
Chemical Property Profile of Diethyl 2-(tributylstannyl)-2H-1,2,3-triazole-4,5-dicarboxylate
Property Insights of Diethyl 2-(tributylstannyl)-2H-1,2,3-triazole-4,5-dicarboxylate
The XLogP value of 4.8254 indicates that Diethyl 2-(tributylstannyl)-2H-1,2,3-triazole-4,5-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-(tributylstannyl)-2H-1,2,3-triazole-4,5-dicarboxylate. Following Lipinski's Rule of Five, Diethyl 2-(tributylstannyl)-2H-1,2,3-triazole-4,5-dicarboxylate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Diethyl 2-(tributylstannyl)-2H-1,2,3-triazole-4,5-dicarboxylate?
The CAS number of Diethyl 2-(tributylstannyl)-2H-1,2,3-triazole-4,5-dicarboxylate is 62676-59-9.
What is the molecular formula of Diethyl 2-(tributylstannyl)-2H-1,2,3-triazole-4,5-dicarboxylate?
The molecular formula of Diethyl 2-(tributylstannyl)-2H-1,2,3-triazole-4,5-dicarboxylate is C20H37N3O4Sn.
What is the molecular weight of Diethyl 2-(tributylstannyl)-2H-1,2,3-triazole-4,5-dicarboxylate?
The molecular weight of Diethyl 2-(tributylstannyl)-2H-1,2,3-triazole-4,5-dicarboxylate is 503.18 g/mol.
Where can I buy Diethyl 2-(tributylstannyl)-2H-1,2,3-triazole-4,5-dicarboxylate?
You can request a quote for Diethyl 2-(tributylstannyl)-2H-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 2-(tributylstannyl)-2H-1,2,3-triazole-4,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-(tributylstannyl)-2H-1,2,3-triazole-4,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.