![N-(2-methyl-2-{[3-(trifluoromethyl)benzyl]sulfanyl}propyl)urea structure](/static/products/3391/339104-14-2.webp)
N-(2-methyl-2-{[3-(trifluoromethyl)benzyl]sulfanyl}propyl)urea
TL;DR: N-(2-methyl-2-{[3-(trifluoromethyl)benzyl]sulfanyl}propyl)urea (CAS 339104-14-2) is a chemical compound with molecular formula C13H17F3N2OS and molecular weight 306.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]propyl]urea
Also Known As: N-(2-methyl-2-{[3-(trifluoromethyl)benzyl]sulfanyl}propyl)urea, [2-methyl-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)propyl]urea, [2-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]propyl]urea, 2-methyl-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)propylurea, C13H17F3N2OS
| Molecular Formula | C13H17F3N2OS |
|---|---|
| Molecular Weight | 306.10 g/mol |
| LogP | 3.3855 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 306.10138 |
| Heavy Atoms | 20 |
| Complexity | 474.92923 |
Chemical Identifiers
| CAS Number | 339104-14-2 |
|---|---|
| SMILES | CC(C)(CNC(=O)N)SCC1=CC(=CC=C1)C(F)(F)F |
Product Overview
N-(2-methyl-2-{[3-(trifluoromethyl)benzyl]sulfanyl}propyl)urea (CAS 339104-14-2), with molecular formula C13H17F3N2OS and molecular weight 306.10 g/mol. IUPAC: [2-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]propyl]urea.
Chemical Property Profile of N-(2-methyl-2-{[3-(trifluoromethyl)benzyl]sulfanyl}propyl)urea
Property Insights of N-(2-methyl-2-{[3-(trifluoromethyl)benzyl]sulfanyl}propyl)urea
The XLogP value of 3.3855 indicates that N-(2-methyl-2-{[3-(trifluoromethyl)benzyl]sulfanyl}propyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.12 Ų, N-(2-methyl-2-{[3-(trifluoromethyl)benzyl]sulfanyl}propyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-methyl-2-{[3-(trifluoromethyl)benzyl]sulfanyl}propyl)urea has 2 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 N-(2-methyl-2-{[3-(trifluoromethyl)benzyl]sulfanyl}propyl)urea?
The CAS number of N-(2-methyl-2-{[3-(trifluoromethyl)benzyl]sulfanyl}propyl)urea is 339104-14-2.
What is the molecular formula of N-(2-methyl-2-{[3-(trifluoromethyl)benzyl]sulfanyl}propyl)urea?
The molecular formula of N-(2-methyl-2-{[3-(trifluoromethyl)benzyl]sulfanyl}propyl)urea is C13H17F3N2OS.
What is the molecular weight of N-(2-methyl-2-{[3-(trifluoromethyl)benzyl]sulfanyl}propyl)urea?
The molecular weight of N-(2-methyl-2-{[3-(trifluoromethyl)benzyl]sulfanyl}propyl)urea is 306.10 g/mol.
Where can I buy N-(2-methyl-2-{[3-(trifluoromethyl)benzyl]sulfanyl}propyl)urea?
You can request a quote for N-(2-methyl-2-{[3-(trifluoromethyl)benzyl]sulfanyl}propyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-methyl-2-{[3-(trifluoromethyl)benzyl]sulfanyl}propyl)urea?
Yes, KEHONG BIO provides custom synthesis services for N-(2-methyl-2-{[3-(trifluoromethyl)benzyl]sulfanyl}propyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.