4-methoxy-N-(2-(3-((2-oxo-2-((4-(trifluoromethoxy)phenyl)amino)ethyl)thio)-1H-indol-1-yl)ethyl)benzamide
TL;DR: 4-methoxy-N-(2-(3-((2-oxo-2-((4-(trifluoromethoxy)phenyl)amino)ethyl)thio)-1H-indol-1-yl)ethyl)benzamide (CAS 851412-81-2) is a chemical compound with molecular formula C27H24F3N3O4S and molecular weight 543.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-N-[2-[3-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]sulfanylindol-1-yl]ethyl]benzamide
Also Known As: 4-methoxy-N-(2-(3-((2-oxo-2-((4-(trifluoromethoxy)phenyl)amino)ethyl)thio)-1H-indol-1-yl)ethyl)benzamide, F0617-0002, 4-methoxy-N-(2-{3-[({[4-(trifluoromethoxy)phenyl]carbamoyl}methyl)sulfanyl]-1H-indol-1-yl}ethyl)benzamide, 4-methoxy-N-[2-[3-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]sulfanylindol-1-yl]ethyl]benzamide, 4-methoxy-N-[2-[3-[[4-(trifluoromethoxy)phenyl]carbamoylmethylsulfanyl]indol-1-yl]ethyl]benzamide
| Molecular Formula | C27H24F3N3O4S |
|---|---|
| Molecular Weight | 543.14 g/mol |
| LogP | 5.7093 |
| Topological Polar Surface Area | 81.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 543.144 |
| Heavy Atoms | 38 |
| Complexity | 1404.1128 |
Chemical Identifiers
| CAS Number | 851412-81-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SCC(=O)NC4=CC=C(C=C4)OC(F)(F)F |
Product Overview
4-methoxy-N-(2-(3-((2-oxo-2-((4-(trifluoromethoxy)phenyl)amino)ethyl)thio)-1H-indol-1-yl)ethyl)benzamide (CAS 851412-81-2), with molecular formula C27H24F3N3O4S and molecular weight 543.14 g/mol. IUPAC: 4-methoxy-N-[2-[3-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]sulfanylindol-1-yl]ethyl]benzamide.
Chemical Property Profile of 4-methoxy-N-(2-(3-((2-oxo-2-((4-(trifluoromethoxy)phenyl)amino)ethyl)thio)-1H-indol-1-yl)ethyl)benzamide
Property Insights of 4-methoxy-N-(2-(3-((2-oxo-2-((4-(trifluoromethoxy)phenyl)amino)ethyl)thio)-1H-indol-1-yl)ethyl)benzamide
The XLogP value of 5.7093 indicates that 4-methoxy-N-(2-(3-((2-oxo-2-((4-(trifluoromethoxy)phenyl)amino)ethyl)thio)-1H-indol-1-yl)ethyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-methoxy-N-(2-(3-((2-oxo-2-((4-(trifluoromethoxy)phenyl)amino)ethyl)thio)-1H-indol-1-yl)ethyl)benzamide. Following Lipinski's Rule of Five, 4-methoxy-N-(2-(3-((2-oxo-2-((4-(trifluoromethoxy)phenyl)amino)ethyl)thio)-1H-indol-1-yl)ethyl)benzamide has 2 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 4-methoxy-N-(2-(3-((2-oxo-2-((4-(trifluoromethoxy)phenyl)amino)ethyl)thio)-1H-indol-1-yl)ethyl)benzamide?
The CAS number of 4-methoxy-N-(2-(3-((2-oxo-2-((4-(trifluoromethoxy)phenyl)amino)ethyl)thio)-1H-indol-1-yl)ethyl)benzamide is 851412-81-2.
What is the molecular formula of 4-methoxy-N-(2-(3-((2-oxo-2-((4-(trifluoromethoxy)phenyl)amino)ethyl)thio)-1H-indol-1-yl)ethyl)benzamide?
The molecular formula of 4-methoxy-N-(2-(3-((2-oxo-2-((4-(trifluoromethoxy)phenyl)amino)ethyl)thio)-1H-indol-1-yl)ethyl)benzamide is C27H24F3N3O4S.
What is the molecular weight of 4-methoxy-N-(2-(3-((2-oxo-2-((4-(trifluoromethoxy)phenyl)amino)ethyl)thio)-1H-indol-1-yl)ethyl)benzamide?
The molecular weight of 4-methoxy-N-(2-(3-((2-oxo-2-((4-(trifluoromethoxy)phenyl)amino)ethyl)thio)-1H-indol-1-yl)ethyl)benzamide is 543.14 g/mol.
Where can I buy 4-methoxy-N-(2-(3-((2-oxo-2-((4-(trifluoromethoxy)phenyl)amino)ethyl)thio)-1H-indol-1-yl)ethyl)benzamide?
You can request a quote for 4-methoxy-N-(2-(3-((2-oxo-2-((4-(trifluoromethoxy)phenyl)amino)ethyl)thio)-1H-indol-1-yl)ethyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methoxy-N-(2-(3-((2-oxo-2-((4-(trifluoromethoxy)phenyl)amino)ethyl)thio)-1H-indol-1-yl)ethyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-methoxy-N-(2-(3-((2-oxo-2-((4-(trifluoromethoxy)phenyl)amino)ethyl)thio)-1H-indol-1-yl)ethyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.