(E)-N-(3-(azepan-1-yl)-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl)-2-fluorobenzamide
TL;DR: (E)-N-(3-(azepan-1-yl)-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl)-2-fluorobenzamide (CAS 332115-01-2) is a chemical compound with molecular formula C22H22BrFN2O2 and molecular weight 444.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-3-(azepan-1-yl)-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl]-2-fluorobenzamide
Also Known As: BAS 01128315, N-[1-(Azepane-1-carbonyl)-2-(4-bromo-phenyl)-vinyl]-2-fluoro-benzamide, (E)-N-(3-(azepan-1-yl)-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl)-2-fluorobenzamide, N-[(E)-3-(azepan-1-yl)-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl]-2-fluorobenzamide, N-[(1E)-3-(AZEPAN-1-YL)-1-(4-BROMOPHENYL)-3-OXOPROP-1-EN-2-YL]-2-FLUOROBENZAMIDE
| Molecular Formula | C22H22BrFN2O2 |
|---|---|
| Molecular Weight | 444.08 g/mol |
| LogP | 4.7617 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 444.08487 |
| Heavy Atoms | 28 |
| Complexity | 872.3604 |
Chemical Identifiers
| CAS Number | 332115-01-2 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)/C(=C\C2=CC=C(C=C2)Br)/NC(=O)C3=CC=CC=C3F |
Product Overview
(E)-N-(3-(azepan-1-yl)-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl)-2-fluorobenzamide (CAS 332115-01-2), with molecular formula C22H22BrFN2O2 and molecular weight 444.08 g/mol. IUPAC: N-[(E)-3-(azepan-1-yl)-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl]-2-fluorobenzamide.
Chemical Property Profile of (E)-N-(3-(azepan-1-yl)-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl)-2-fluorobenzamide
Property Insights of (E)-N-(3-(azepan-1-yl)-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl)-2-fluorobenzamide
The XLogP value of 4.7617 indicates that (E)-N-(3-(azepan-1-yl)-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl)-2-fluorobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.41 Ų, (E)-N-(3-(azepan-1-yl)-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl)-2-fluorobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-N-(3-(azepan-1-yl)-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl)-2-fluorobenzamide has 1 hydrogen bond donor(s) and 2 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 (E)-N-(3-(azepan-1-yl)-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl)-2-fluorobenzamide?
The CAS number of (E)-N-(3-(azepan-1-yl)-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl)-2-fluorobenzamide is 332115-01-2.
What is the molecular formula of (E)-N-(3-(azepan-1-yl)-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl)-2-fluorobenzamide?
The molecular formula of (E)-N-(3-(azepan-1-yl)-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl)-2-fluorobenzamide is C22H22BrFN2O2.
What is the molecular weight of (E)-N-(3-(azepan-1-yl)-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl)-2-fluorobenzamide?
The molecular weight of (E)-N-(3-(azepan-1-yl)-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl)-2-fluorobenzamide is 444.08 g/mol.
Where can I buy (E)-N-(3-(azepan-1-yl)-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl)-2-fluorobenzamide?
You can request a quote for (E)-N-(3-(azepan-1-yl)-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl)-2-fluorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-N-(3-(azepan-1-yl)-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl)-2-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-(3-(azepan-1-yl)-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl)-2-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.