![ethyl 5-chloro-1-[3,5-di(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylate structure](/static/products/2879/287923-49-3.webp)
ethyl 5-chloro-1-[3,5-di(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylate
TL;DR: ethyl 5-chloro-1-[3,5-di(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylate (CAS 287923-49-3) is a chemical compound with molecular formula C13H8ClF6N3O2 and molecular weight 387.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[3,5-bis(trifluoromethyl)phenyl]-5-chlorotriazole-4-carboxylate
Also Known As: ethyl 5-chloro-1-[3,5-di(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylate, ethyl 1-[3,5-bis(trifluoromethyl)phenyl]-5-chlorotriazole-4-carboxylate, ethyl 1-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-1,2,3-triazole-4-carboxylate
| Molecular Formula | C13H8ClF6N3O2 |
|---|---|
| Molecular Weight | 387.02 g/mol |
| LogP | 4.135 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 387.02094 |
| Heavy Atoms | 25 |
| Complexity | 767.78766 |
Chemical Identifiers
| CAS Number | 287923-49-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(N=N1)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)Cl |
Product Overview
ethyl 5-chloro-1-[3,5-di(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylate (CAS 287923-49-3), with molecular formula C13H8ClF6N3O2 and molecular weight 387.02 g/mol. IUPAC: ethyl 1-[3,5-bis(trifluoromethyl)phenyl]-5-chlorotriazole-4-carboxylate.
Chemical Property Profile of ethyl 5-chloro-1-[3,5-di(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylate
Property Insights of ethyl 5-chloro-1-[3,5-di(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylate
The XLogP value of 4.135 indicates that ethyl 5-chloro-1-[3,5-di(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.01 Ų, ethyl 5-chloro-1-[3,5-di(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 5-chloro-1-[3,5-di(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-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 5-chloro-1-[3,5-di(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylate?
The CAS number of ethyl 5-chloro-1-[3,5-di(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylate is 287923-49-3.
What is the molecular formula of ethyl 5-chloro-1-[3,5-di(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylate?
The molecular formula of ethyl 5-chloro-1-[3,5-di(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylate is C13H8ClF6N3O2.
What is the molecular weight of ethyl 5-chloro-1-[3,5-di(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylate?
The molecular weight of ethyl 5-chloro-1-[3,5-di(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylate is 387.02 g/mol.
Where can I buy ethyl 5-chloro-1-[3,5-di(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylate?
You can request a quote for ethyl 5-chloro-1-[3,5-di(trifluoromethyl)phenyl]-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-chloro-1-[3,5-di(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-chloro-1-[3,5-di(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.