1-(4H-1,2,4-triazol-4-yl)-3-(1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl)urea
TL;DR: 1-(4H-1,2,4-triazol-4-yl)-3-(1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl)urea (CAS 301320-25-2) is a chemical compound with molecular formula C8H9F6N5O and molecular weight 305.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,2,4-triazol-4-yl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea
Also Known As: {[1,1-bis(trifluoromethyl)propyl]amino}-N-(1,2,4-triazol-4-yl)carboxamide, 1-(1,2,4-triazol-4-yl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea, 1-(4H-1,2,4-triazol-4-yl)-3-(1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl)urea, 1-(4H-1,2,4-triazol-4-yl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea
| Molecular Formula | C8H9F6N5O |
|---|---|
| Molecular Weight | 305.07 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 71.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 305.07114 |
| Heavy Atoms | 20 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 301320-25-2 |
|---|---|
| SMILES | CCC(C(F)(F)F)(C(F)(F)F)NC(=O)NN1C=NN=C1 |
| InChIKey | XZDJLQPOYUSHRN-UHFFFAOYSA-N |
Product Overview
1-(4H-1,2,4-triazol-4-yl)-3-(1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl)urea (CAS 301320-25-2), with molecular formula C8H9F6N5O and molecular weight 305.07 g/mol. IUPAC: 1-(1,2,4-triazol-4-yl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea.
Chemical Property Profile of 1-(4H-1,2,4-triazol-4-yl)-3-(1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl)urea
Property Insights of 1-(4H-1,2,4-triazol-4-yl)-3-(1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl)urea
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4H-1,2,4-triazol-4-yl)-3-(1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl)urea. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4H-1,2,4-triazol-4-yl)-3-(1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl)urea. Following Lipinski's Rule of Five, 1-(4H-1,2,4-triazol-4-yl)-3-(1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl)urea has 2 hydrogen bond donor(s) and 9 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 1-(4H-1,2,4-triazol-4-yl)-3-(1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl)urea?
The CAS number of 1-(4H-1,2,4-triazol-4-yl)-3-(1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl)urea is 301320-25-2.
What is the molecular formula of 1-(4H-1,2,4-triazol-4-yl)-3-(1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl)urea?
The molecular formula of 1-(4H-1,2,4-triazol-4-yl)-3-(1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl)urea is C8H9F6N5O.
What is the molecular weight of 1-(4H-1,2,4-triazol-4-yl)-3-(1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl)urea?
The molecular weight of 1-(4H-1,2,4-triazol-4-yl)-3-(1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl)urea is 305.07 g/mol.
Where can I buy 1-(4H-1,2,4-triazol-4-yl)-3-(1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl)urea?
You can request a quote for 1-(4H-1,2,4-triazol-4-yl)-3-(1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4H-1,2,4-triazol-4-yl)-3-(1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4H-1,2,4-triazol-4-yl)-3-(1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.