Ethyl 1-(naphthalen-1-yl)-1H-1,2,3-triazole-5-carboxylate
TL;DR: Ethyl 1-(naphthalen-1-yl)-1H-1,2,3-triazole-5-carboxylate (CAS 91165-70-7) is a chemical compound with molecular formula C15H13N3O2 and molecular weight 267.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-naphthalen-1-yltriazole-4-carboxylate
Also Known As: Ethyl 1-(naphthalen-1-yl)-1H-1,2,3-triazole-5-carboxylate, ethyl 3-naphthalen-1-yltriazole-4-carboxylate, Ethyl 1-(1-naphthyl)-1H-1,2,3-triazole-5-carboxylate, 1- -1H-1,2,3-triazole-5-carboxylicacidethylester, 1-(1-Naphthyl)-1H-1,2,3-triazole-5-carboxylic acid ethyl ester
| Molecular Formula | C15H13N3O2 |
|---|---|
| Molecular Weight | 267.10 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 57.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 267.10077 |
| Heavy Atoms | 20 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 91165-70-7 |
|---|---|
| SMILES | CCOC(=O)C1=CN=NN1C2=CC=CC3=CC=CC=C32 |
| InChIKey | QFJIYHCAJYUYDL-UHFFFAOYSA-N |
Product Overview
Ethyl 1-(naphthalen-1-yl)-1H-1,2,3-triazole-5-carboxylate (CAS 91165-70-7), with molecular formula C15H13N3O2 and molecular weight 267.10 g/mol. IUPAC: ethyl 3-naphthalen-1-yltriazole-4-carboxylate.
Chemical Property Profile of Ethyl 1-(naphthalen-1-yl)-1H-1,2,3-triazole-5-carboxylate
Property Insights of Ethyl 1-(naphthalen-1-yl)-1H-1,2,3-triazole-5-carboxylate
The XLogP value of 3.2 indicates that Ethyl 1-(naphthalen-1-yl)-1H-1,2,3-triazole-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.0 Ų, Ethyl 1-(naphthalen-1-yl)-1H-1,2,3-triazole-5-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1-(naphthalen-1-yl)-1H-1,2,3-triazole-5-carboxylate has 0 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 1-(naphthalen-1-yl)-1H-1,2,3-triazole-5-carboxylate?
The CAS number of Ethyl 1-(naphthalen-1-yl)-1H-1,2,3-triazole-5-carboxylate is 91165-70-7.
What is the molecular formula of Ethyl 1-(naphthalen-1-yl)-1H-1,2,3-triazole-5-carboxylate?
The molecular formula of Ethyl 1-(naphthalen-1-yl)-1H-1,2,3-triazole-5-carboxylate is C15H13N3O2.
What is the molecular weight of Ethyl 1-(naphthalen-1-yl)-1H-1,2,3-triazole-5-carboxylate?
The molecular weight of Ethyl 1-(naphthalen-1-yl)-1H-1,2,3-triazole-5-carboxylate is 267.10 g/mol.
Where can I buy Ethyl 1-(naphthalen-1-yl)-1H-1,2,3-triazole-5-carboxylate?
You can request a quote for Ethyl 1-(naphthalen-1-yl)-1H-1,2,3-triazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1-(naphthalen-1-yl)-1H-1,2,3-triazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-(naphthalen-1-yl)-1H-1,2,3-triazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.