N-(2-bromo-4-nitrophenyl)-2-cyano-3-(2-methoxyphenyl)prop-2-enamide
TL;DR: N-(2-bromo-4-nitrophenyl)-2-cyano-3-(2-methoxyphenyl)prop-2-enamide (CAS 444063-86-9) is a chemical compound with molecular formula C17H12BrN3O4 and molecular weight 401.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-(2-bromo-4-nitrophenyl)-2-cyano-3-(2-methoxyphenyl)prop-2-enamide
Also Known As: AB00713844-01, (E)-N-(2-bromo-4-nitrophenyl)-2-cyano-3-(2-methoxyphenyl)prop-2-enamide, N-(2-bromo-4-nitrophenyl)-2-cyano-3-(2-methoxyphenyl)prop-2-enamide
| Molecular Formula | C17H12BrN3O4 |
|---|---|
| Molecular Weight | 401.00 g/mol |
| LogP | 3.91158 |
| Topological Polar Surface Area | 105.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.00113 |
| Heavy Atoms | 25 |
| Complexity | 903.0062 |
Chemical Identifiers
| CAS Number | 444063-86-9 |
|---|---|
| SMILES | COC1=CC=CC=C1/C=C(\C#N)/C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br |
Product Overview
N-(2-bromo-4-nitrophenyl)-2-cyano-3-(2-methoxyphenyl)prop-2-enamide (CAS 444063-86-9), with molecular formula C17H12BrN3O4 and molecular weight 401.00 g/mol. IUPAC: (E)-N-(2-bromo-4-nitrophenyl)-2-cyano-3-(2-methoxyphenyl)prop-2-enamide.
Chemical Property Profile of N-(2-bromo-4-nitrophenyl)-2-cyano-3-(2-methoxyphenyl)prop-2-enamide
Property Insights of N-(2-bromo-4-nitrophenyl)-2-cyano-3-(2-methoxyphenyl)prop-2-enamide
The XLogP value of 3.91158 indicates that N-(2-bromo-4-nitrophenyl)-2-cyano-3-(2-methoxyphenyl)prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.26 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-bromo-4-nitrophenyl)-2-cyano-3-(2-methoxyphenyl)prop-2-enamide. Following Lipinski's Rule of Five, N-(2-bromo-4-nitrophenyl)-2-cyano-3-(2-methoxyphenyl)prop-2-enamide has 1 hydrogen bond donor(s) and 5 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-bromo-4-nitrophenyl)-2-cyano-3-(2-methoxyphenyl)prop-2-enamide?
The CAS number of N-(2-bromo-4-nitrophenyl)-2-cyano-3-(2-methoxyphenyl)prop-2-enamide is 444063-86-9.
What is the molecular formula of N-(2-bromo-4-nitrophenyl)-2-cyano-3-(2-methoxyphenyl)prop-2-enamide?
The molecular formula of N-(2-bromo-4-nitrophenyl)-2-cyano-3-(2-methoxyphenyl)prop-2-enamide is C17H12BrN3O4.
What is the molecular weight of N-(2-bromo-4-nitrophenyl)-2-cyano-3-(2-methoxyphenyl)prop-2-enamide?
The molecular weight of N-(2-bromo-4-nitrophenyl)-2-cyano-3-(2-methoxyphenyl)prop-2-enamide is 401.00 g/mol.
Where can I buy N-(2-bromo-4-nitrophenyl)-2-cyano-3-(2-methoxyphenyl)prop-2-enamide?
You can request a quote for N-(2-bromo-4-nitrophenyl)-2-cyano-3-(2-methoxyphenyl)prop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-bromo-4-nitrophenyl)-2-cyano-3-(2-methoxyphenyl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-bromo-4-nitrophenyl)-2-cyano-3-(2-methoxyphenyl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.