(E)-N-(2-(1H-indol-3-yl)ethyl)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyanoacrylamide
TL;DR: (E)-N-(2-(1H-indol-3-yl)ethyl)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyanoacrylamide (CAS 333413-52-8) is a chemical compound with molecular formula C21H18BrN3O3 and molecular weight 439.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide
Also Known As: (E)-N-(2-(1H-indol-3-yl)ethyl)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyanoacrylamide, (2E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide, (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide
| Molecular Formula | C21H18BrN3O3 |
|---|---|
| Molecular Weight | 439.05 g/mol |
| LogP | 3.91048 |
| Topological Polar Surface Area | 98.14 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 439.05316 |
| Heavy Atoms | 28 |
| Complexity | 1095.9591 |
Chemical Identifiers
| CAS Number | 333413-52-8 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)NCCC2=CNC3=CC=CC=C32)Br)O |
Product Overview
(E)-N-(2-(1H-indol-3-yl)ethyl)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyanoacrylamide (CAS 333413-52-8), with molecular formula C21H18BrN3O3 and molecular weight 439.05 g/mol. IUPAC: (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide.
Chemical Property Profile of (E)-N-(2-(1H-indol-3-yl)ethyl)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyanoacrylamide
Property Insights of (E)-N-(2-(1H-indol-3-yl)ethyl)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyanoacrylamide
The XLogP value of 3.91048 indicates that (E)-N-(2-(1H-indol-3-yl)ethyl)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyanoacrylamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.14 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N-(2-(1H-indol-3-yl)ethyl)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyanoacrylamide. Following Lipinski's Rule of Five, (E)-N-(2-(1H-indol-3-yl)ethyl)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyanoacrylamide has 3 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 (E)-N-(2-(1H-indol-3-yl)ethyl)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyanoacrylamide?
The CAS number of (E)-N-(2-(1H-indol-3-yl)ethyl)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyanoacrylamide is 333413-52-8.
What is the molecular formula of (E)-N-(2-(1H-indol-3-yl)ethyl)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyanoacrylamide?
The molecular formula of (E)-N-(2-(1H-indol-3-yl)ethyl)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyanoacrylamide is C21H18BrN3O3.
What is the molecular weight of (E)-N-(2-(1H-indol-3-yl)ethyl)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyanoacrylamide?
The molecular weight of (E)-N-(2-(1H-indol-3-yl)ethyl)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyanoacrylamide is 439.05 g/mol.
Where can I buy (E)-N-(2-(1H-indol-3-yl)ethyl)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyanoacrylamide?
You can request a quote for (E)-N-(2-(1H-indol-3-yl)ethyl)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyanoacrylamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-N-(2-(1H-indol-3-yl)ethyl)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyanoacrylamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-(2-(1H-indol-3-yl)ethyl)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyanoacrylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.