![1-(1-Ethynylcyclohexyl)-3-[3-(trifluoromethyl)phenyl]urea structure](/static/products/866/866008-65-3.png)
1-(1-Ethynylcyclohexyl)-3-[3-(trifluoromethyl)phenyl]urea
TL;DR: 1-(1-Ethynylcyclohexyl)-3-[3-(trifluoromethyl)phenyl]urea (CAS 866008-65-3) is a chemical compound with molecular formula C16H17F3N2O and molecular weight 310.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-ethynylcyclohexyl)-3-[3-(trifluoromethyl)phenyl]urea
Also Known As: 1-(1-ethynylcyclohexyl)-3-[3-(trifluoromethyl)phenyl]urea, N-(1-ethynylcyclohexyl)-N'-[3-(trifluoromethyl)phenyl]urea, C16H17F3N2O
| Molecular Formula | C16H17F3N2O |
|---|---|
| Molecular Weight | 310.13 g/mol |
| LogP | 4.163 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 310.1293 |
| Heavy Atoms | 22 |
| Complexity | 583.7891 |
Chemical Identifiers
| CAS Number | 866008-65-3 |
|---|---|
| SMILES | C#CC1(CCCCC1)NC(=O)NC2=CC=CC(=C2)C(F)(F)F |
Product Overview
1-(1-Ethynylcyclohexyl)-3-[3-(trifluoromethyl)phenyl]urea (CAS 866008-65-3), with molecular formula C16H17F3N2O and molecular weight 310.13 g/mol. IUPAC: 1-(1-ethynylcyclohexyl)-3-[3-(trifluoromethyl)phenyl]urea.
Chemical Property Profile of 1-(1-Ethynylcyclohexyl)-3-[3-(trifluoromethyl)phenyl]urea
Property Insights of 1-(1-Ethynylcyclohexyl)-3-[3-(trifluoromethyl)phenyl]urea
The XLogP value of 4.163 indicates that 1-(1-Ethynylcyclohexyl)-3-[3-(trifluoromethyl)phenyl]urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.13 Ų, 1-(1-Ethynylcyclohexyl)-3-[3-(trifluoromethyl)phenyl]urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-Ethynylcyclohexyl)-3-[3-(trifluoromethyl)phenyl]urea has 2 hydrogen bond donor(s) and 1 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-Ethynylcyclohexyl)-3-[3-(trifluoromethyl)phenyl]urea?
The CAS number of 1-(1-Ethynylcyclohexyl)-3-[3-(trifluoromethyl)phenyl]urea is 866008-65-3.
What is the molecular formula of 1-(1-Ethynylcyclohexyl)-3-[3-(trifluoromethyl)phenyl]urea?
The molecular formula of 1-(1-Ethynylcyclohexyl)-3-[3-(trifluoromethyl)phenyl]urea is C16H17F3N2O.
What is the molecular weight of 1-(1-Ethynylcyclohexyl)-3-[3-(trifluoromethyl)phenyl]urea?
The molecular weight of 1-(1-Ethynylcyclohexyl)-3-[3-(trifluoromethyl)phenyl]urea is 310.13 g/mol.
Where can I buy 1-(1-Ethynylcyclohexyl)-3-[3-(trifluoromethyl)phenyl]urea?
You can request a quote for 1-(1-Ethynylcyclohexyl)-3-[3-(trifluoromethyl)phenyl]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-Ethynylcyclohexyl)-3-[3-(trifluoromethyl)phenyl]urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-Ethynylcyclohexyl)-3-[3-(trifluoromethyl)phenyl]urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.