ethyl (2-((4H-1,2,4-triazol-4-yl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate
TL;DR: ethyl (2-((4H-1,2,4-triazol-4-yl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate (CAS 340033-59-2) is a chemical compound with molecular formula C8H9F6N5O2 and molecular weight 321.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[1,1,1,3,3,3-hexafluoro-2-(1,2,4-triazol-4-ylamino)propan-2-yl]carbamate
Also Known As: ethyl (2-((4H-1,2,4-triazol-4-yl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate, ethyl [1,1,1,3,3,3-hexafluoro-2-(4H-1,2,4-triazol-4-ylamino)propan-2-yl]carbamate, ethyl N-[1,1,1,3,3,3-hexafluoro-2-(1,2,4-triazol-4-ylamino)propan-2-yl]carbamate, ethoxy-N-[2,2,2-trifluoro-1-(1,2,4-triazol-4-ylamino)-1-(trifluoromethyl)ethyl ]carboxamide
| Molecular Formula | C8H9F6N5O2 |
|---|---|
| Molecular Weight | 321.07 g/mol |
| LogP | 1.3886 |
| Topological Polar Surface Area | 81.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 321.06604 |
| Heavy Atoms | 21 |
| Complexity | 456.49237 |
Chemical Identifiers
| CAS Number | 340033-59-2 |
|---|---|
| SMILES | CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)NN1C=NN=C1 |
Product Overview
ethyl (2-((4H-1,2,4-triazol-4-yl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate (CAS 340033-59-2), with molecular formula C8H9F6N5O2 and molecular weight 321.07 g/mol. IUPAC: ethyl N-[1,1,1,3,3,3-hexafluoro-2-(1,2,4-triazol-4-ylamino)propan-2-yl]carbamate.
Chemical Property Profile of ethyl (2-((4H-1,2,4-triazol-4-yl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate
Property Insights of ethyl (2-((4H-1,2,4-triazol-4-yl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate
The XLogP value of 1.3886 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (2-((4H-1,2,4-triazol-4-yl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate. The TPSA of 81.07 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (2-((4H-1,2,4-triazol-4-yl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate. Following Lipinski's Rule of Five, ethyl (2-((4H-1,2,4-triazol-4-yl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate has 2 hydrogen bond donor(s) and 5 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 (2-((4H-1,2,4-triazol-4-yl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate?
The CAS number of ethyl (2-((4H-1,2,4-triazol-4-yl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate is 340033-59-2.
What is the molecular formula of ethyl (2-((4H-1,2,4-triazol-4-yl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate?
The molecular formula of ethyl (2-((4H-1,2,4-triazol-4-yl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate is C8H9F6N5O2.
What is the molecular weight of ethyl (2-((4H-1,2,4-triazol-4-yl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate?
The molecular weight of ethyl (2-((4H-1,2,4-triazol-4-yl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate is 321.07 g/mol.
Where can I buy ethyl (2-((4H-1,2,4-triazol-4-yl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate?
You can request a quote for ethyl (2-((4H-1,2,4-triazol-4-yl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (2-((4H-1,2,4-triazol-4-yl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (2-((4H-1,2,4-triazol-4-yl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.