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N-[bis(ethylsulfanyl)methyl]-N'-[3-(trifluoromethyl)phenyl]urea
TL;DR: N-[bis(ethylsulfanyl)methyl]-N'-[3-(trifluoromethyl)phenyl]urea (CAS 338752-76-4) is a chemical compound with molecular formula C13H17F3N2OS2 and molecular weight 338.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[bis(ethylsulfanyl)methyl]-3-[3-(trifluoromethyl)phenyl]urea
Also Known As: 5D-088, N-[bis(ethylsulfanyl)methyl]-N'-[3-(trifluoromethyl)phenyl]urea, 1-[bis(ethylsulfanyl)methyl]-3-[3-(trifluoromethyl)phenyl]urea, 3-[bis(ethylsulfanyl)methyl]-1-[3-(trifluoromethyl)phenyl]urea
| Molecular Formula | C13H17F3N2OS2 |
|---|---|
| Molecular Weight | 338.07 g/mol |
| LogP | 4.6167 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 338.07343 |
| Heavy Atoms | 21 |
| Complexity | 462.97476 |
Chemical Identifiers
| CAS Number | 338752-76-4 |
|---|---|
| SMILES | CCSC(NC(=O)NC1=CC=CC(=C1)C(F)(F)F)SCC |
Product Overview
N-[bis(ethylsulfanyl)methyl]-N'-[3-(trifluoromethyl)phenyl]urea (CAS 338752-76-4), with molecular formula C13H17F3N2OS2 and molecular weight 338.07 g/mol. IUPAC: 1-[bis(ethylsulfanyl)methyl]-3-[3-(trifluoromethyl)phenyl]urea.
Chemical Property Profile of N-[bis(ethylsulfanyl)methyl]-N'-[3-(trifluoromethyl)phenyl]urea
Property Insights of N-[bis(ethylsulfanyl)methyl]-N'-[3-(trifluoromethyl)phenyl]urea
The XLogP value of 4.6167 indicates that N-[bis(ethylsulfanyl)methyl]-N'-[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, N-[bis(ethylsulfanyl)methyl]-N'-[3-(trifluoromethyl)phenyl]urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[bis(ethylsulfanyl)methyl]-N'-[3-(trifluoromethyl)phenyl]urea has 2 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 N-[bis(ethylsulfanyl)methyl]-N'-[3-(trifluoromethyl)phenyl]urea?
The CAS number of N-[bis(ethylsulfanyl)methyl]-N'-[3-(trifluoromethyl)phenyl]urea is 338752-76-4.
What is the molecular formula of N-[bis(ethylsulfanyl)methyl]-N'-[3-(trifluoromethyl)phenyl]urea?
The molecular formula of N-[bis(ethylsulfanyl)methyl]-N'-[3-(trifluoromethyl)phenyl]urea is C13H17F3N2OS2.
What is the molecular weight of N-[bis(ethylsulfanyl)methyl]-N'-[3-(trifluoromethyl)phenyl]urea?
The molecular weight of N-[bis(ethylsulfanyl)methyl]-N'-[3-(trifluoromethyl)phenyl]urea is 338.07 g/mol.
Where can I buy N-[bis(ethylsulfanyl)methyl]-N'-[3-(trifluoromethyl)phenyl]urea?
You can request a quote for N-[bis(ethylsulfanyl)methyl]-N'-[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 N-[bis(ethylsulfanyl)methyl]-N'-[3-(trifluoromethyl)phenyl]urea?
Yes, KEHONG BIO provides custom synthesis services for N-[bis(ethylsulfanyl)methyl]-N'-[3-(trifluoromethyl)phenyl]urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.