![2,6-difluoro-N-{2-[3-({[(4-fluorophenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}benzamide structure](/static/products/5338/533866-06-7.webp)
2,6-difluoro-N-{2-[3-({[(4-fluorophenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}benzamide
TL;DR: 2,6-difluoro-N-{2-[3-({[(4-fluorophenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}benzamide (CAS 533866-06-7) is a chemical compound with molecular formula C25H20F3N3O2S and molecular weight 483.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-difluoro-N-[2-[3-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide
Also Known As: 2,6-difluoro-N-{2-[3-({[(4-fluorophenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}benzamide, F0554-0881, 2,6-difluoro-N-(2-(3-((2-((4-fluorophenyl)amino)-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)benzamide, 2,6-difluoro-N-[2-[3-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide, 2,6-difluoro-N-[2-[3-[(4-fluorophenyl)carbamoylmethylsulfanyl]indol-1-yl]ethyl]benzamide
| Molecular Formula | C25H20F3N3O2S |
|---|---|
| Molecular Weight | 483.12 g/mol |
| LogP | 5.2194 |
| Topological Polar Surface Area | 63.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 483.12283 |
| Heavy Atoms | 34 |
| Complexity | 1319.001 |
Chemical Identifiers
| CAS Number | 533866-06-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2CCNC(=O)C3=C(C=CC=C3F)F)SCC(=O)NC4=CC=C(C=C4)F |
Product Overview
2,6-difluoro-N-{2-[3-({[(4-fluorophenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}benzamide (CAS 533866-06-7), with molecular formula C25H20F3N3O2S and molecular weight 483.12 g/mol. IUPAC: 2,6-difluoro-N-[2-[3-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide.
Chemical Property Profile of 2,6-difluoro-N-{2-[3-({[(4-fluorophenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}benzamide
Property Insights of 2,6-difluoro-N-{2-[3-({[(4-fluorophenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}benzamide
The XLogP value of 5.2194 indicates that 2,6-difluoro-N-{2-[3-({[(4-fluorophenyl)carbamoyl]methyl}sulfanyl)-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 2,6-difluoro-N-{2-[3-({[(4-fluorophenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}benzamide. Following Lipinski's Rule of Five, 2,6-difluoro-N-{2-[3-({[(4-fluorophenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}benzamide has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,6-difluoro-N-{2-[3-({[(4-fluorophenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}benzamide?
The CAS number of 2,6-difluoro-N-{2-[3-({[(4-fluorophenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}benzamide is 533866-06-7.
What is the molecular formula of 2,6-difluoro-N-{2-[3-({[(4-fluorophenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}benzamide?
The molecular formula of 2,6-difluoro-N-{2-[3-({[(4-fluorophenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}benzamide is C25H20F3N3O2S.
What is the molecular weight of 2,6-difluoro-N-{2-[3-({[(4-fluorophenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}benzamide?
The molecular weight of 2,6-difluoro-N-{2-[3-({[(4-fluorophenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}benzamide is 483.12 g/mol.
Where can I buy 2,6-difluoro-N-{2-[3-({[(4-fluorophenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}benzamide?
You can request a quote for 2,6-difluoro-N-{2-[3-({[(4-fluorophenyl)carbamoyl]methyl}sulfanyl)-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 2,6-difluoro-N-{2-[3-({[(4-fluorophenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2,6-difluoro-N-{2-[3-({[(4-fluorophenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.