![2-Bromo-N-[(E)-1-(3-imidazol-1-yl-propylcarbamoyl)-2-pyridin-3-yl-vinyl]-benzamide structure](/static/products/116/1164499-40-4.png)
2-Bromo-N-[(E)-1-(3-imidazol-1-yl-propylcarbamoyl)-2-pyridin-3-yl-vinyl]-benzamide
TL;DR: 2-Bromo-N-[(E)-1-(3-imidazol-1-yl-propylcarbamoyl)-2-pyridin-3-yl-vinyl]-benzamide (CAS 1164499-40-4) is a chemical compound with molecular formula C21H20BrN5O2 and molecular weight 453.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-N-[(E)-3-(3-imidazol-1-ylpropylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide
Also Known As: 2-Bromo-N-[(E)-1-(3-imidazol-1-yl-propylcarbamoyl)-2-pyridin-3-yl-vinyl]-benzamide, (E)-N-(3-((3-(1H-imidazol-1-yl)propyl)amino)-3-oxo-1-(pyridin-3-yl)prop-1-en-2-yl)-2-bromobenzamide, 2-bromo-N-[(1E)-3-{[3-(1H-imidazol-1-yl)propyl]amino}-3-oxo-1-(pyridin-3-yl)prop-1-en-2-yl]benzamide, 2-bromo-N-[(E)-3-(3-imidazol-1-ylpropylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide
| Molecular Formula | C21H20BrN5O2 |
|---|---|
| Molecular Weight | 453.08 g/mol |
| LogP | 3.018 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 453.08005 |
| Heavy Atoms | 29 |
| Complexity | 987.3256 |
Chemical Identifiers
| CAS Number | 1164499-40-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)N/C(=C/C2=CN=CC=C2)/C(=O)NCCCN3C=CN=C3)Br |
Product Overview
2-Bromo-N-[(E)-1-(3-imidazol-1-yl-propylcarbamoyl)-2-pyridin-3-yl-vinyl]-benzamide (CAS 1164499-40-4), with molecular formula C21H20BrN5O2 and molecular weight 453.08 g/mol. IUPAC: 2-bromo-N-[(E)-3-(3-imidazol-1-ylpropylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide.
Chemical Property Profile of 2-Bromo-N-[(E)-1-(3-imidazol-1-yl-propylcarbamoyl)-2-pyridin-3-yl-vinyl]-benzamide
Property Insights of 2-Bromo-N-[(E)-1-(3-imidazol-1-yl-propylcarbamoyl)-2-pyridin-3-yl-vinyl]-benzamide
The XLogP value of 3.018 indicates that 2-Bromo-N-[(E)-1-(3-imidazol-1-yl-propylcarbamoyl)-2-pyridin-3-yl-vinyl]-benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Bromo-N-[(E)-1-(3-imidazol-1-yl-propylcarbamoyl)-2-pyridin-3-yl-vinyl]-benzamide. Following Lipinski's Rule of Five, 2-Bromo-N-[(E)-1-(3-imidazol-1-yl-propylcarbamoyl)-2-pyridin-3-yl-vinyl]-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 2-Bromo-N-[(E)-1-(3-imidazol-1-yl-propylcarbamoyl)-2-pyridin-3-yl-vinyl]-benzamide?
The CAS number of 2-Bromo-N-[(E)-1-(3-imidazol-1-yl-propylcarbamoyl)-2-pyridin-3-yl-vinyl]-benzamide is 1164499-40-4.
What is the molecular formula of 2-Bromo-N-[(E)-1-(3-imidazol-1-yl-propylcarbamoyl)-2-pyridin-3-yl-vinyl]-benzamide?
The molecular formula of 2-Bromo-N-[(E)-1-(3-imidazol-1-yl-propylcarbamoyl)-2-pyridin-3-yl-vinyl]-benzamide is C21H20BrN5O2.
What is the molecular weight of 2-Bromo-N-[(E)-1-(3-imidazol-1-yl-propylcarbamoyl)-2-pyridin-3-yl-vinyl]-benzamide?
The molecular weight of 2-Bromo-N-[(E)-1-(3-imidazol-1-yl-propylcarbamoyl)-2-pyridin-3-yl-vinyl]-benzamide is 453.08 g/mol.
Where can I buy 2-Bromo-N-[(E)-1-(3-imidazol-1-yl-propylcarbamoyl)-2-pyridin-3-yl-vinyl]-benzamide?
You can request a quote for 2-Bromo-N-[(E)-1-(3-imidazol-1-yl-propylcarbamoyl)-2-pyridin-3-yl-vinyl]-benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-N-[(E)-1-(3-imidazol-1-yl-propylcarbamoyl)-2-pyridin-3-yl-vinyl]-benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-N-[(E)-1-(3-imidazol-1-yl-propylcarbamoyl)-2-pyridin-3-yl-vinyl]-benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.