1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(1H-1,2,4-triazol-3-yl)urea
TL;DR: 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(1H-1,2,4-triazol-3-yl)urea (CAS 339355-29-2) is a chemical compound with molecular formula C6H5F6N5O and molecular weight 277.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(1H-1,2,4-triazol-5-yl)urea
Also Known As: 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(1H-1,2,4-triazol-3-yl)urea, 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(1H-1,2,4-triazol-5-yl)urea, 3-(1,1,1,3,3,3-HEXAFLUOROPROPAN-2-YL)-1-(1H-1,2,4-TRIAZOL-3-YL)UREA, N-(1H-1,2,4-triazol-3-yl){[2,2,2-trifluoro-1-(trifluoromethyl)ethyl]amino}carb oxamide
| Molecular Formula | C6H5F6N5O |
|---|---|
| Molecular Weight | 277.04 g/mol |
| LogP | 1.4194 |
| Topological Polar Surface Area | 82.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 277.03983 |
| Heavy Atoms | 18 |
| Complexity | 383.59055 |
Chemical Identifiers
| CAS Number | 339355-29-2 |
|---|---|
| SMILES | C1=NNC(=N1)NC(=O)NC(C(F)(F)F)C(F)(F)F |
Product Overview
1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(1H-1,2,4-triazol-3-yl)urea (CAS 339355-29-2), with molecular formula C6H5F6N5O and molecular weight 277.04 g/mol. IUPAC: 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(1H-1,2,4-triazol-5-yl)urea.
Chemical Property Profile of 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(1H-1,2,4-triazol-3-yl)urea
Property Insights of 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(1H-1,2,4-triazol-3-yl)urea
The XLogP value of 1.4194 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(1H-1,2,4-triazol-3-yl)urea. The TPSA of 82.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(1H-1,2,4-triazol-3-yl)urea. Following Lipinski's Rule of Five, 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(1H-1,2,4-triazol-3-yl)urea has 3 hydrogen bond donor(s) and 3 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-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(1H-1,2,4-triazol-3-yl)urea?
The CAS number of 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(1H-1,2,4-triazol-3-yl)urea is 339355-29-2.
What is the molecular formula of 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(1H-1,2,4-triazol-3-yl)urea?
The molecular formula of 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(1H-1,2,4-triazol-3-yl)urea is C6H5F6N5O.
What is the molecular weight of 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(1H-1,2,4-triazol-3-yl)urea?
The molecular weight of 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(1H-1,2,4-triazol-3-yl)urea is 277.04 g/mol.
Where can I buy 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(1H-1,2,4-triazol-3-yl)urea?
You can request a quote for 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(1H-1,2,4-triazol-3-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-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(1H-1,2,4-triazol-3-yl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(1H-1,2,4-triazol-3-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.