![N-[2-(4-bromophenyl)-1-(prop-2-enylcarbamoyl)ethenyl]-4-nitro-benzamide structure](/static/products/585/5857-17-0.png)
N-[2-(4-bromophenyl)-1-(prop-2-enylcarbamoyl)ethenyl]-4-nitro-benzamide
TL;DR: N-[2-(4-bromophenyl)-1-(prop-2-enylcarbamoyl)ethenyl]-4-nitro-benzamide (CAS 5857-17-0) is a chemical compound with molecular formula C19H16BrN3O4 and molecular weight 429.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(Z)-1-(4-bromophenyl)-3-oxo-3-(prop-2-enylamino)prop-1-en-2-yl]-4-nitrobenzamide
Also Known As: N-[2-(4-bromophenyl)-1-(prop-2-enylcarbamoyl)ethenyl]-4-nitro-benzamide, (2Z)-3-(4-bromophenyl)-2-[(4-nitrophenyl)formamido]-N-(prop-2-en-1-yl)prop-2-enamide, N-[(1Z)-1-(4-bromophenyl)-3-oxo-3-(prop-2-en-1-ylamino)prop-1-en-2-yl]-4-nitrobenzamide, N-[(Z)-1-(4-bromophenyl)-3-oxo-3-(prop-2-enylamino)prop-1-en-2-yl]-4-nitrobenzamide, N-[1-(4-bromophenyl)-3-oxo-3-(prop-2-enylamino)prop-1-en-2-yl]-4-nitrobenzamide
| Molecular Formula | C19H16BrN3O4 |
|---|---|
| Molecular Weight | 429.03 g/mol |
| LogP | 3.4304 |
| Topological Polar Surface Area | 101.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 429.0324 |
| Heavy Atoms | 27 |
| Complexity | 890.1757 |
Chemical Identifiers
| CAS Number | 5857-17-0 |
|---|---|
| SMILES | C=CCNC(=O)/C(=C/C1=CC=C(C=C1)Br)/NC(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
N-[2-(4-bromophenyl)-1-(prop-2-enylcarbamoyl)ethenyl]-4-nitro-benzamide (CAS 5857-17-0), with molecular formula C19H16BrN3O4 and molecular weight 429.03 g/mol. IUPAC: N-[(Z)-1-(4-bromophenyl)-3-oxo-3-(prop-2-enylamino)prop-1-en-2-yl]-4-nitrobenzamide.
Chemical Property Profile of N-[2-(4-bromophenyl)-1-(prop-2-enylcarbamoyl)ethenyl]-4-nitro-benzamide
Property Insights of N-[2-(4-bromophenyl)-1-(prop-2-enylcarbamoyl)ethenyl]-4-nitro-benzamide
The XLogP value of 3.4304 indicates that N-[2-(4-bromophenyl)-1-(prop-2-enylcarbamoyl)ethenyl]-4-nitro-benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.34 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-(4-bromophenyl)-1-(prop-2-enylcarbamoyl)ethenyl]-4-nitro-benzamide. Following Lipinski's Rule of Five, N-[2-(4-bromophenyl)-1-(prop-2-enylcarbamoyl)ethenyl]-4-nitro-benzamide has 2 hydrogen bond donor(s) and 4 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-(4-bromophenyl)-1-(prop-2-enylcarbamoyl)ethenyl]-4-nitro-benzamide?
The CAS number of N-[2-(4-bromophenyl)-1-(prop-2-enylcarbamoyl)ethenyl]-4-nitro-benzamide is 5857-17-0.
What is the molecular formula of N-[2-(4-bromophenyl)-1-(prop-2-enylcarbamoyl)ethenyl]-4-nitro-benzamide?
The molecular formula of N-[2-(4-bromophenyl)-1-(prop-2-enylcarbamoyl)ethenyl]-4-nitro-benzamide is C19H16BrN3O4.
What is the molecular weight of N-[2-(4-bromophenyl)-1-(prop-2-enylcarbamoyl)ethenyl]-4-nitro-benzamide?
The molecular weight of N-[2-(4-bromophenyl)-1-(prop-2-enylcarbamoyl)ethenyl]-4-nitro-benzamide is 429.03 g/mol.
Where can I buy N-[2-(4-bromophenyl)-1-(prop-2-enylcarbamoyl)ethenyl]-4-nitro-benzamide?
You can request a quote for N-[2-(4-bromophenyl)-1-(prop-2-enylcarbamoyl)ethenyl]-4-nitro-benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[2-(4-bromophenyl)-1-(prop-2-enylcarbamoyl)ethenyl]-4-nitro-benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[2-(4-bromophenyl)-1-(prop-2-enylcarbamoyl)ethenyl]-4-nitro-benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.