(E)-N-(3-(azepan-1-yl)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl)-4-(tert-butyl)benzamide
TL;DR: (E)-N-(3-(azepan-1-yl)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl)-4-(tert-butyl)benzamide (CAS 373376-48-8) is a chemical compound with molecular formula C26H31N3O4 and molecular weight 449.23 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-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-tert-butylbenzamide
Also Known As: (E)-N-(3-(azepan-1-yl)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl)-4-(tert-butyl)benzamide, N-[(1E)-3-(azepan-1-yl)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-tert-butylbenzamide, N-[(E)-3-(azepan-1-yl)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-tert-butylbenzamide, N-[3-(azepan-1-yl)-1-(3-nitrophenyl)-3-oxo-prop-1-en-2-yl]-4-tert-butyl-benzamide
| Molecular Formula | C26H31N3O4 |
|---|---|
| Molecular Weight | 449.23 g/mol |
| LogP | 5.0658 |
| Topological Polar Surface Area | 92.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 449.23145 |
| Heavy Atoms | 33 |
| Complexity | 1043.9518 |
Chemical Identifiers
| CAS Number | 373376-48-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)N/C(=C/C2=CC(=CC=C2)[N+](=O)[O-])/C(=O)N3CCCCCC3 |
Product Overview
(E)-N-(3-(azepan-1-yl)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl)-4-(tert-butyl)benzamide (CAS 373376-48-8), with molecular formula C26H31N3O4 and molecular weight 449.23 g/mol. IUPAC: N-[(E)-3-(azepan-1-yl)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-tert-butylbenzamide.
Chemical Property Profile of (E)-N-(3-(azepan-1-yl)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl)-4-(tert-butyl)benzamide
Property Insights of (E)-N-(3-(azepan-1-yl)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl)-4-(tert-butyl)benzamide
The XLogP value of 5.0658 indicates that (E)-N-(3-(azepan-1-yl)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl)-4-(tert-butyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.55 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N-(3-(azepan-1-yl)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl)-4-(tert-butyl)benzamide. Following Lipinski's Rule of Five, (E)-N-(3-(azepan-1-yl)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl)-4-(tert-butyl)benzamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-N-(3-(azepan-1-yl)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl)-4-(tert-butyl)benzamide?
The CAS number of (E)-N-(3-(azepan-1-yl)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl)-4-(tert-butyl)benzamide is 373376-48-8.
What is the molecular formula of (E)-N-(3-(azepan-1-yl)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl)-4-(tert-butyl)benzamide?
The molecular formula of (E)-N-(3-(azepan-1-yl)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl)-4-(tert-butyl)benzamide is C26H31N3O4.
What is the molecular weight of (E)-N-(3-(azepan-1-yl)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl)-4-(tert-butyl)benzamide?
The molecular weight of (E)-N-(3-(azepan-1-yl)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl)-4-(tert-butyl)benzamide is 449.23 g/mol.
Where can I buy (E)-N-(3-(azepan-1-yl)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl)-4-(tert-butyl)benzamide?
You can request a quote for (E)-N-(3-(azepan-1-yl)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl)-4-(tert-butyl)benzamide 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-(3-nitrophenyl)-3-oxoprop-1-en-2-yl)-4-(tert-butyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-(3-(azepan-1-yl)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl)-4-(tert-butyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.