![N-[(E)-3-(azepan-1-yl)-1-(4-dimethylaminophenyl)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide structure](/static/products/799/799770-52-8.png)
N-[(E)-3-(azepan-1-yl)-1-(4-dimethylaminophenyl)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide
TL;DR: N-[(E)-3-(azepan-1-yl)-1-(4-dimethylaminophenyl)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide (CAS 799770-52-8) is a chemical compound with molecular formula C24H28ClN3O2 and molecular weight 425.19 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-(dimethylamino)phenyl]-3-oxoprop-1-en-2-yl]-2-chlorobenzamide
Also Known As: N-[(E)-3-(azepan-1-yl)-1-(4-dimethylaminophenyl)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide, (E)-N-(3-(azepan-1-yl)-1-(4-(dimethylamino)phenyl)-3-oxoprop-1-en-2-yl)-2-chlorobenzamide, N-{(1E)-3-(azepan-1-yl)-1-[4-(dimethylamino)phenyl]-3-oxoprop-1-en-2-yl}-2-chlorobenzamide
| Molecular Formula | C24H28ClN3O2 |
|---|---|
| Molecular Weight | 425.19 g/mol |
| LogP | 4.5795 |
| Topological Polar Surface Area | 52.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 425.187 |
| Heavy Atoms | 30 |
| Complexity | 914.3032 |
Chemical Identifiers
| CAS Number | 799770-52-8 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)/C=C(\C(=O)N2CCCCCC2)/NC(=O)C3=CC=CC=C3Cl |
Product Overview
N-[(E)-3-(azepan-1-yl)-1-(4-dimethylaminophenyl)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide (CAS 799770-52-8), with molecular formula C24H28ClN3O2 and molecular weight 425.19 g/mol. IUPAC: N-[(E)-3-(azepan-1-yl)-1-[4-(dimethylamino)phenyl]-3-oxoprop-1-en-2-yl]-2-chlorobenzamide.
Chemical Property Profile of N-[(E)-3-(azepan-1-yl)-1-(4-dimethylaminophenyl)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide
Property Insights of N-[(E)-3-(azepan-1-yl)-1-(4-dimethylaminophenyl)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide
The XLogP value of 4.5795 indicates that N-[(E)-3-(azepan-1-yl)-1-(4-dimethylaminophenyl)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.65 Ų, N-[(E)-3-(azepan-1-yl)-1-(4-dimethylaminophenyl)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[(E)-3-(azepan-1-yl)-1-(4-dimethylaminophenyl)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide 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-[(E)-3-(azepan-1-yl)-1-(4-dimethylaminophenyl)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide?
The CAS number of N-[(E)-3-(azepan-1-yl)-1-(4-dimethylaminophenyl)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide is 799770-52-8.
What is the molecular formula of N-[(E)-3-(azepan-1-yl)-1-(4-dimethylaminophenyl)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide?
The molecular formula of N-[(E)-3-(azepan-1-yl)-1-(4-dimethylaminophenyl)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide is C24H28ClN3O2.
What is the molecular weight of N-[(E)-3-(azepan-1-yl)-1-(4-dimethylaminophenyl)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide?
The molecular weight of N-[(E)-3-(azepan-1-yl)-1-(4-dimethylaminophenyl)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide is 425.19 g/mol.
Where can I buy N-[(E)-3-(azepan-1-yl)-1-(4-dimethylaminophenyl)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide?
You can request a quote for N-[(E)-3-(azepan-1-yl)-1-(4-dimethylaminophenyl)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(E)-3-(azepan-1-yl)-1-(4-dimethylaminophenyl)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(E)-3-(azepan-1-yl)-1-(4-dimethylaminophenyl)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.