Ethyl 5-pentyl-1H-1,2,3-triazole-4-carboxylate
TL;DR: Ethyl 5-pentyl-1H-1,2,3-triazole-4-carboxylate (CAS 71022-57-6) is a chemical compound with molecular formula C10H17N3O2 and molecular weight 211.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-pentyl-2H-triazole-4-carboxylate
Also Known As: Ethyl 5-pentyl-1H-1,2,3-triazole-4-carboxylate, ethyl 5-pentyl-2H-triazole-4-carboxylate, Ethyl 5-pentyl-1H-1,2,3-triazole-4-carboxylate #, 1H-1,2,3-Triazole-4-carboxylic acid, 5-pentyl-, ethyl ester, 5-Pentyl-1H-1,2,3-triazole-4-carboxylic acid ethyl ester
| Molecular Formula | C10H17N3O2 |
|---|---|
| Molecular Weight | 211.13 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 67.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 211.13208 |
| Heavy Atoms | 15 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 71022-57-6 |
|---|---|
| SMILES | CCCCCC1=NNN=C1C(=O)OCC |
| InChIKey | TWGXHIHOLSXMDA-UHFFFAOYSA-N |
Product Overview
Ethyl 5-pentyl-1H-1,2,3-triazole-4-carboxylate (CAS 71022-57-6), with molecular formula C10H17N3O2 and molecular weight 211.13 g/mol. IUPAC: ethyl 5-pentyl-2H-triazole-4-carboxylate.
Chemical Property Profile of Ethyl 5-pentyl-1H-1,2,3-triazole-4-carboxylate
Property Insights of Ethyl 5-pentyl-1H-1,2,3-triazole-4-carboxylate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-pentyl-1H-1,2,3-triazole-4-carboxylate. The TPSA of 67.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-pentyl-1H-1,2,3-triazole-4-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-pentyl-1H-1,2,3-triazole-4-carboxylate has 1 hydrogen bond donor(s) and 4 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 Ethyl 5-pentyl-1H-1,2,3-triazole-4-carboxylate?
The CAS number of Ethyl 5-pentyl-1H-1,2,3-triazole-4-carboxylate is 71022-57-6.
What is the molecular formula of Ethyl 5-pentyl-1H-1,2,3-triazole-4-carboxylate?
The molecular formula of Ethyl 5-pentyl-1H-1,2,3-triazole-4-carboxylate is C10H17N3O2.
What is the molecular weight of Ethyl 5-pentyl-1H-1,2,3-triazole-4-carboxylate?
The molecular weight of Ethyl 5-pentyl-1H-1,2,3-triazole-4-carboxylate is 211.13 g/mol.
Where can I buy Ethyl 5-pentyl-1H-1,2,3-triazole-4-carboxylate?
You can request a quote for Ethyl 5-pentyl-1H-1,2,3-triazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-pentyl-1H-1,2,3-triazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-pentyl-1H-1,2,3-triazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.