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N1-(2-{[3-(trifluoromethyl)benzyl]thio}phenyl)-2,2-dichloroacetamide
TL;DR: N1-(2-{[3-(trifluoromethyl)benzyl]thio}phenyl)-2,2-dichloroacetamide (CAS 646989-67-5) is a chemical compound with molecular formula C16H12Cl2F3NOS and molecular weight 393.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dichloro-N-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]phenyl]acetamide
Also Known As: N1-(2-{[3-(trifluoromethyl)benzyl]thio}phenyl)-2,2-dichloroacetamide, Acetamide, 2,2-dichloro-N-[2-(3-trifluoromethylbenzylthio)phenyl]-, 2,2-dichloro-N-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]phenyl]acetamide, 2,2-Dichloro-N-(2-([3-(trifluoromethyl)benzyl]sulfanyl)phenyl)acetamide #, 2,2-dichloro-N-[2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)phenyl]acetamide
| Molecular Formula | C16H12Cl2F3NOS |
|---|---|
| Molecular Weight | 393.00 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.9969 |
| Heavy Atoms | 24 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 646989-67-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)NC(=O)C(Cl)Cl)SCC2=CC(=CC=C2)C(F)(F)F |
| InChIKey | NNNNPRXDVNLTJM-UHFFFAOYSA-N |
Product Overview
N1-(2-{[3-(trifluoromethyl)benzyl]thio}phenyl)-2,2-dichloroacetamide (CAS 646989-67-5), with molecular formula C16H12Cl2F3NOS and molecular weight 393.00 g/mol. IUPAC: 2,2-dichloro-N-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]phenyl]acetamide.
Chemical Property Profile of N1-(2-{[3-(trifluoromethyl)benzyl]thio}phenyl)-2,2-dichloroacetamide
Property Insights of N1-(2-{[3-(trifluoromethyl)benzyl]thio}phenyl)-2,2-dichloroacetamide
The XLogP value of 5.3 indicates that N1-(2-{[3-(trifluoromethyl)benzyl]thio}phenyl)-2,2-dichloroacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, N1-(2-{[3-(trifluoromethyl)benzyl]thio}phenyl)-2,2-dichloroacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N1-(2-{[3-(trifluoromethyl)benzyl]thio}phenyl)-2,2-dichloroacetamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N1-(2-{[3-(trifluoromethyl)benzyl]thio}phenyl)-2,2-dichloroacetamide?
The CAS number of N1-(2-{[3-(trifluoromethyl)benzyl]thio}phenyl)-2,2-dichloroacetamide is 646989-67-5.
What is the molecular formula of N1-(2-{[3-(trifluoromethyl)benzyl]thio}phenyl)-2,2-dichloroacetamide?
The molecular formula of N1-(2-{[3-(trifluoromethyl)benzyl]thio}phenyl)-2,2-dichloroacetamide is C16H12Cl2F3NOS.
What is the molecular weight of N1-(2-{[3-(trifluoromethyl)benzyl]thio}phenyl)-2,2-dichloroacetamide?
The molecular weight of N1-(2-{[3-(trifluoromethyl)benzyl]thio}phenyl)-2,2-dichloroacetamide is 393.00 g/mol.
Where can I buy N1-(2-{[3-(trifluoromethyl)benzyl]thio}phenyl)-2,2-dichloroacetamide?
You can request a quote for N1-(2-{[3-(trifluoromethyl)benzyl]thio}phenyl)-2,2-dichloroacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N1-(2-{[3-(trifluoromethyl)benzyl]thio}phenyl)-2,2-dichloroacetamide?
Yes, KEHONG BIO provides custom synthesis services for N1-(2-{[3-(trifluoromethyl)benzyl]thio}phenyl)-2,2-dichloroacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.