![1-[1-(3-Bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(trifluoromethyl)phenyl]thiourea structure](/static/products/1005/1005110-77-9.webp)
1-[1-(3-Bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(trifluoromethyl)phenyl]thiourea
TL;DR: 1-[1-(3-Bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(trifluoromethyl)phenyl]thiourea (CAS 1005110-77-9) is a chemical compound with molecular formula C17H21F3N2S and molecular weight 342.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(trifluoromethyl)phenyl]thiourea
Also Known As: 1-[1-(3-bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(trifluoromethyl)phenyl]thiourea, [(bicyclo[2.2.1]hept-2-ylethyl)amino]{[2-(trifluoromethyl)phenyl]amino}methane -1-thione, 1-[1-(bicyclo[2.2.1]hept-2-yl)ethyl]-3-[2-(trifluoromethyl)phenyl]thiourea, N-(1-bicyclo[2.2.1]hept-2-ylethyl)-N'-[2-(trifluoromethyl)phenyl]thiourea
| Molecular Formula | C17H21F3N2S |
|---|---|
| Molecular Weight | 342.14 g/mol |
| LogP | 4.8165 |
| Topological Polar Surface Area | 24.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 342.13776 |
| Heavy Atoms | 23 |
| Complexity | 587.44635 |
Chemical Identifiers
| CAS Number | 1005110-77-9 |
|---|---|
| SMILES | CC(C1CC2CCC1C2)NC(=S)NC3=CC=CC=C3C(F)(F)F |
Product Overview
1-[1-(3-Bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(trifluoromethyl)phenyl]thiourea (CAS 1005110-77-9), with molecular formula C17H21F3N2S and molecular weight 342.14 g/mol. IUPAC: 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(trifluoromethyl)phenyl]thiourea.
Chemical Property Profile of 1-[1-(3-Bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(trifluoromethyl)phenyl]thiourea
Property Insights of 1-[1-(3-Bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(trifluoromethyl)phenyl]thiourea
The XLogP value of 4.8165 indicates that 1-[1-(3-Bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(trifluoromethyl)phenyl]thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.06 Ų, 1-[1-(3-Bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(trifluoromethyl)phenyl]thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[1-(3-Bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(trifluoromethyl)phenyl]thiourea 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-(3-Bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(trifluoromethyl)phenyl]thiourea?
The CAS number of 1-[1-(3-Bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(trifluoromethyl)phenyl]thiourea is 1005110-77-9.
What is the molecular formula of 1-[1-(3-Bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(trifluoromethyl)phenyl]thiourea?
The molecular formula of 1-[1-(3-Bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(trifluoromethyl)phenyl]thiourea is C17H21F3N2S.
What is the molecular weight of 1-[1-(3-Bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(trifluoromethyl)phenyl]thiourea?
The molecular weight of 1-[1-(3-Bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(trifluoromethyl)phenyl]thiourea is 342.14 g/mol.
Where can I buy 1-[1-(3-Bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(trifluoromethyl)phenyl]thiourea?
You can request a quote for 1-[1-(3-Bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(trifluoromethyl)phenyl]thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[1-(3-Bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(trifluoromethyl)phenyl]thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[1-(3-Bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(trifluoromethyl)phenyl]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.