![N-[2-(3-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-2,6-difluorobenzamide structure](/static/products/5338/533865-97-3.webp)
N-[2-(3-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-2,6-difluorobenzamide
TL;DR: N-[2-(3-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-2,6-difluorobenzamide (CAS 533865-97-3) is a chemical compound with molecular formula C25H27F2N3O2S and molecular weight 471.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[3-[2-(azepan-1-yl)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-2,6-difluorobenzamide
Also Known As: N-[2-(3-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-2,6-difluorobenzamide, F0554-0872, N-(2-(3-((2-(azepan-1-yl)-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)-2,6-difluorobenzamide, N-[2-[3-[2-(azepan-1-yl)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-2,6-difluorobenzamide, N-[2-[3-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanylindol-1-yl]ethyl]-2,6-difluoro-benzamide
| Molecular Formula | C25H27F2N3O2S |
|---|---|
| Molecular Weight | 471.18 g/mol |
| LogP | 4.8442 |
| Topological Polar Surface Area | 54.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 471.1792 |
| Heavy Atoms | 33 |
| Complexity | 1119.6324 |
Chemical Identifiers
| CAS Number | 533865-97-3 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)CSC2=CN(C3=CC=CC=C32)CCNC(=O)C4=C(C=CC=C4F)F |
Product Overview
N-[2-(3-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-2,6-difluorobenzamide (CAS 533865-97-3), with molecular formula C25H27F2N3O2S and molecular weight 471.18 g/mol. IUPAC: N-[2-[3-[2-(azepan-1-yl)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-2,6-difluorobenzamide.
Chemical Property Profile of N-[2-(3-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-2,6-difluorobenzamide
Property Insights of N-[2-(3-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-2,6-difluorobenzamide
The XLogP value of 4.8442 indicates that N-[2-(3-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-2,6-difluorobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.34 Ų, N-[2-(3-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-2,6-difluorobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[2-(3-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-2,6-difluorobenzamide has 1 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 N-[2-(3-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-2,6-difluorobenzamide?
The CAS number of N-[2-(3-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-2,6-difluorobenzamide is 533865-97-3.
What is the molecular formula of N-[2-(3-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-2,6-difluorobenzamide?
The molecular formula of N-[2-(3-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-2,6-difluorobenzamide is C25H27F2N3O2S.
What is the molecular weight of N-[2-(3-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-2,6-difluorobenzamide?
The molecular weight of N-[2-(3-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-2,6-difluorobenzamide is 471.18 g/mol.
Where can I buy N-[2-(3-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-2,6-difluorobenzamide?
You can request a quote for N-[2-(3-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-2,6-difluorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[2-(3-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-2,6-difluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[2-(3-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-2,6-difluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.