2-fluoro-N-(2-(3-((2-((4-fluorobenzyl)amino)-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)benzamide
TL;DR: 2-fluoro-N-(2-(3-((2-((4-fluorobenzyl)amino)-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)benzamide (CAS 862825-95-4) is a chemical compound with molecular formula C26H23F2N3O2S and molecular weight 479.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-fluoro-N-[2-[3-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide
Also Known As: 2-fluoro-N-(2-(3-((2-((4-fluorobenzyl)amino)-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)benzamide, F0617-0093, 2-fluoro-N-(2-{3-[({[(4-fluorophenyl)methyl]carbamoyl}methyl)sulfanyl]-1H-indol-1-yl}ethyl)benzamide, 2-fluoro-N-[2-[3-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide, 2-fluoro-N-[2-[3-[(4-fluorophenyl)methylcarbamoylmethylsulfanyl]indol-1-yl]ethyl]benzamide
| Molecular Formula | C26H23F2N3O2S |
|---|---|
| Molecular Weight | 479.15 g/mol |
| LogP | 4.758 |
| Topological Polar Surface Area | 63.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 479.14792 |
| Heavy Atoms | 34 |
| Complexity | 1305.1571 |
Chemical Identifiers
| CAS Number | 862825-95-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2CCNC(=O)C3=CC=CC=C3F)SCC(=O)NCC4=CC=C(C=C4)F |
Product Overview
2-fluoro-N-(2-(3-((2-((4-fluorobenzyl)amino)-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)benzamide (CAS 862825-95-4), with molecular formula C26H23F2N3O2S and molecular weight 479.15 g/mol. IUPAC: 2-fluoro-N-[2-[3-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide.
Chemical Property Profile of 2-fluoro-N-(2-(3-((2-((4-fluorobenzyl)amino)-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)benzamide
Property Insights of 2-fluoro-N-(2-(3-((2-((4-fluorobenzyl)amino)-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)benzamide
The XLogP value of 4.758 indicates that 2-fluoro-N-(2-(3-((2-((4-fluorobenzyl)amino)-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-fluoro-N-(2-(3-((2-((4-fluorobenzyl)amino)-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)benzamide. Following Lipinski's Rule of Five, 2-fluoro-N-(2-(3-((2-((4-fluorobenzyl)amino)-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)benzamide 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 2-fluoro-N-(2-(3-((2-((4-fluorobenzyl)amino)-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)benzamide?
The CAS number of 2-fluoro-N-(2-(3-((2-((4-fluorobenzyl)amino)-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)benzamide is 862825-95-4.
What is the molecular formula of 2-fluoro-N-(2-(3-((2-((4-fluorobenzyl)amino)-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)benzamide?
The molecular formula of 2-fluoro-N-(2-(3-((2-((4-fluorobenzyl)amino)-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)benzamide is C26H23F2N3O2S.
What is the molecular weight of 2-fluoro-N-(2-(3-((2-((4-fluorobenzyl)amino)-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)benzamide?
The molecular weight of 2-fluoro-N-(2-(3-((2-((4-fluorobenzyl)amino)-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)benzamide is 479.15 g/mol.
Where can I buy 2-fluoro-N-(2-(3-((2-((4-fluorobenzyl)amino)-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)benzamide?
You can request a quote for 2-fluoro-N-(2-(3-((2-((4-fluorobenzyl)amino)-2-oxoethyl)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 2-fluoro-N-(2-(3-((2-((4-fluorobenzyl)amino)-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-fluoro-N-(2-(3-((2-((4-fluorobenzyl)amino)-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.