![N-[(1E)-3-(azepan-1-yl)-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl]-3-bromobenzamide structure](/static/products/799/799777-05-2.png)
N-[(1E)-3-(azepan-1-yl)-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl]-3-bromobenzamide
TL;DR: N-[(1E)-3-(azepan-1-yl)-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl]-3-bromobenzamide (CAS 799777-05-2) is a chemical compound with molecular formula C20H21BrN2O2S and molecular weight 432.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-3-(azepan-1-yl)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-3-bromobenzamide
Also Known As: (E)-N-(3-(azepan-1-yl)-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl)-3-bromobenzamide, N-[(1E)-3-(azepan-1-yl)-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl]-3-bromobenzamide, N-[(E)-3-(azepan-1-yl)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-3-bromobenzamide, N-[3-(azepan-1-yl)-3-oxo-1-thiophen-2-yl-prop-1-en-2-yl]-3-bromo-benzamide
| Molecular Formula | C20H21BrN2O2S |
|---|---|
| Molecular Weight | 432.05 g/mol |
| LogP | 4.6841 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 432.05072 |
| Heavy Atoms | 26 |
| Complexity | 793.90234 |
Chemical Identifiers
| CAS Number | 799777-05-2 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)/C(=C\C2=CC=CS2)/NC(=O)C3=CC(=CC=C3)Br |
Product Overview
N-[(1E)-3-(azepan-1-yl)-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl]-3-bromobenzamide (CAS 799777-05-2), with molecular formula C20H21BrN2O2S and molecular weight 432.05 g/mol. IUPAC: N-[(E)-3-(azepan-1-yl)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-3-bromobenzamide.
Chemical Property Profile of N-[(1E)-3-(azepan-1-yl)-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl]-3-bromobenzamide
Property Insights of N-[(1E)-3-(azepan-1-yl)-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl]-3-bromobenzamide
The XLogP value of 4.6841 indicates that N-[(1E)-3-(azepan-1-yl)-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl]-3-bromobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.41 Ų, N-[(1E)-3-(azepan-1-yl)-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl]-3-bromobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[(1E)-3-(azepan-1-yl)-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl]-3-bromobenzamide 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-[(1E)-3-(azepan-1-yl)-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl]-3-bromobenzamide?
The CAS number of N-[(1E)-3-(azepan-1-yl)-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl]-3-bromobenzamide is 799777-05-2.
What is the molecular formula of N-[(1E)-3-(azepan-1-yl)-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl]-3-bromobenzamide?
The molecular formula of N-[(1E)-3-(azepan-1-yl)-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl]-3-bromobenzamide is C20H21BrN2O2S.
What is the molecular weight of N-[(1E)-3-(azepan-1-yl)-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl]-3-bromobenzamide?
The molecular weight of N-[(1E)-3-(azepan-1-yl)-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl]-3-bromobenzamide is 432.05 g/mol.
Where can I buy N-[(1E)-3-(azepan-1-yl)-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl]-3-bromobenzamide?
You can request a quote for N-[(1E)-3-(azepan-1-yl)-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl]-3-bromobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(1E)-3-(azepan-1-yl)-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl]-3-bromobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(1E)-3-(azepan-1-yl)-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl]-3-bromobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.