1-((2-Methyl-1H-indol-5-yl)methyl)-3-(4-(trifluoromethoxy)phenyl)thiourea
TL;DR: 1-((2-Methyl-1H-indol-5-yl)methyl)-3-(4-(trifluoromethoxy)phenyl)thiourea (CAS 852139-73-2) is a chemical compound with molecular formula C18H16F3N3OS and molecular weight 379.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-methyl-1H-indol-5-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]thiourea
Also Known As: 3-[(2-METHYL-1H-INDOL-5-YL)METHYL]-1-[4-(TRIFLUOROMETHOXY)PHENYL]THIOUREA, 1-((2-Methyl-1H-indol-5-yl)methyl)-3-(4-(trifluoromethoxy)phenyl)thiourea, 1-[(2-methyl-1H-indol-5-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]thiourea
| Molecular Formula | C18H16F3N3OS |
|---|---|
| Molecular Weight | 379.10 g/mol |
| LogP | 4.86152 |
| Topological Polar Surface Area | 49.08 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 379.09662 |
| Heavy Atoms | 26 |
| Complexity | 919.57117 |
Chemical Identifiers
| CAS Number | 852139-73-2 |
|---|---|
| SMILES | CC1=CC2=C(N1)C=CC(=C2)CNC(=S)NC3=CC=C(C=C3)OC(F)(F)F |
Product Overview
1-((2-Methyl-1H-indol-5-yl)methyl)-3-(4-(trifluoromethoxy)phenyl)thiourea (CAS 852139-73-2), with molecular formula C18H16F3N3OS and molecular weight 379.10 g/mol. IUPAC: 1-[(2-methyl-1H-indol-5-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]thiourea.
Chemical Property Profile of 1-((2-Methyl-1H-indol-5-yl)methyl)-3-(4-(trifluoromethoxy)phenyl)thiourea
Property Insights of 1-((2-Methyl-1H-indol-5-yl)methyl)-3-(4-(trifluoromethoxy)phenyl)thiourea
The XLogP value of 4.86152 indicates that 1-((2-Methyl-1H-indol-5-yl)methyl)-3-(4-(trifluoromethoxy)phenyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.08 Ų, 1-((2-Methyl-1H-indol-5-yl)methyl)-3-(4-(trifluoromethoxy)phenyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-((2-Methyl-1H-indol-5-yl)methyl)-3-(4-(trifluoromethoxy)phenyl)thiourea has 3 hydrogen bond donor(s) and 2 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-((2-Methyl-1H-indol-5-yl)methyl)-3-(4-(trifluoromethoxy)phenyl)thiourea?
The CAS number of 1-((2-Methyl-1H-indol-5-yl)methyl)-3-(4-(trifluoromethoxy)phenyl)thiourea is 852139-73-2.
What is the molecular formula of 1-((2-Methyl-1H-indol-5-yl)methyl)-3-(4-(trifluoromethoxy)phenyl)thiourea?
The molecular formula of 1-((2-Methyl-1H-indol-5-yl)methyl)-3-(4-(trifluoromethoxy)phenyl)thiourea is C18H16F3N3OS.
What is the molecular weight of 1-((2-Methyl-1H-indol-5-yl)methyl)-3-(4-(trifluoromethoxy)phenyl)thiourea?
The molecular weight of 1-((2-Methyl-1H-indol-5-yl)methyl)-3-(4-(trifluoromethoxy)phenyl)thiourea is 379.10 g/mol.
Where can I buy 1-((2-Methyl-1H-indol-5-yl)methyl)-3-(4-(trifluoromethoxy)phenyl)thiourea?
You can request a quote for 1-((2-Methyl-1H-indol-5-yl)methyl)-3-(4-(trifluoromethoxy)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-((2-Methyl-1H-indol-5-yl)methyl)-3-(4-(trifluoromethoxy)phenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-((2-Methyl-1H-indol-5-yl)methyl)-3-(4-(trifluoromethoxy)phenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.