N,N-dimethyl(2-(3-(trifluoromethyl)phenylthio)phenyl)methanamine
TL;DR: N,N-dimethyl(2-(3-(trifluoromethyl)phenylthio)phenyl)methanamine (CAS 748113-35-1) is a chemical compound with molecular formula C16H16F3NS and molecular weight 311.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-1-[2-[3-(trifluoromethyl)phenyl]sulfanylphenyl]methanamine
Also Known As: AE-641/05538020, N,N-dimethyl(2-(3-(trifluoromethyl)phenylthio)phenyl)methanamine, N,N-Dimethyl-2-[[3-(trifluoromethyl)phenyl]thio]benzenemethanamine, N,N-dimethyl-N-(2-{[3-(trifluoromethyl)phenyl]sulfanyl}benzyl)amine, N,N-Dimethyl-1-(2-{[3-(trifluoromethyl)phenyl]sulfanyl}phenyl)methanamine
| Molecular Formula | C16H16F3NS |
|---|---|
| Molecular Weight | 311.10 g/mol |
| LogP | 4.9182 |
| Topological Polar Surface Area | 3.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.09555 |
| Heavy Atoms | 21 |
| Complexity | 608.46625 |
Chemical Identifiers
| CAS Number | 748113-35-1 |
|---|---|
| SMILES | CN(C)CC1=CC=CC=C1SC2=CC=CC(=C2)C(F)(F)F |
Product Overview
N,N-dimethyl(2-(3-(trifluoromethyl)phenylthio)phenyl)methanamine (CAS 748113-35-1), with molecular formula C16H16F3NS and molecular weight 311.10 g/mol. IUPAC: N,N-dimethyl-1-[2-[3-(trifluoromethyl)phenyl]sulfanylphenyl]methanamine.
Chemical Property Profile of N,N-dimethyl(2-(3-(trifluoromethyl)phenylthio)phenyl)methanamine
Property Insights of N,N-dimethyl(2-(3-(trifluoromethyl)phenylthio)phenyl)methanamine
The XLogP value of 4.9182 indicates that N,N-dimethyl(2-(3-(trifluoromethyl)phenylthio)phenyl)methanamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.24 Ų, N,N-dimethyl(2-(3-(trifluoromethyl)phenylthio)phenyl)methanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-dimethyl(2-(3-(trifluoromethyl)phenylthio)phenyl)methanamine has 0 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,N-dimethyl(2-(3-(trifluoromethyl)phenylthio)phenyl)methanamine?
The CAS number of N,N-dimethyl(2-(3-(trifluoromethyl)phenylthio)phenyl)methanamine is 748113-35-1.
What is the molecular formula of N,N-dimethyl(2-(3-(trifluoromethyl)phenylthio)phenyl)methanamine?
The molecular formula of N,N-dimethyl(2-(3-(trifluoromethyl)phenylthio)phenyl)methanamine is C16H16F3NS.
What is the molecular weight of N,N-dimethyl(2-(3-(trifluoromethyl)phenylthio)phenyl)methanamine?
The molecular weight of N,N-dimethyl(2-(3-(trifluoromethyl)phenylthio)phenyl)methanamine is 311.10 g/mol.
Where can I buy N,N-dimethyl(2-(3-(trifluoromethyl)phenylthio)phenyl)methanamine?
You can request a quote for N,N-dimethyl(2-(3-(trifluoromethyl)phenylthio)phenyl)methanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-dimethyl(2-(3-(trifluoromethyl)phenylthio)phenyl)methanamine?
Yes, KEHONG BIO provides custom synthesis services for N,N-dimethyl(2-(3-(trifluoromethyl)phenylthio)phenyl)methanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.