(E)-N-(3-((2-(1H-indol-3-yl)ethyl)amino)-3-oxo-1-(pyridin-3-yl)prop-1-en-2-yl)-2-chlorobenzamide
TL;DR: (E)-N-(3-((2-(1H-indol-3-yl)ethyl)amino)-3-oxo-1-(pyridin-3-yl)prop-1-en-2-yl)-2-chlorobenzamide (CAS 799771-98-5) is a chemical compound with molecular formula C25H21ClN4O2 and molecular weight 444.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-[(E)-3-[2-(1H-indol-3-yl)ethylamino]-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide
Also Known As: (E)-N-(3-((2-(1H-indol-3-yl)ethyl)amino)-3-oxo-1-(pyridin-3-yl)prop-1-en-2-yl)-2-chlorobenzamide, 2-chloro-N-[(1E)-3-{[2-(1H-indol-3-yl)ethyl]amino}-3-oxo-1-(pyridin-3-yl)prop-1-en-2-yl]benzamide, 2-chloro-N-[(E)-3-[2-(1H-indol-3-yl)ethylamino]-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide
| Molecular Formula | C25H21ClN4O2 |
|---|---|
| Molecular Weight | 444.14 g/mol |
| LogP | 4.3461 |
| Topological Polar Surface Area | 86.88 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 444.1353 |
| Heavy Atoms | 32 |
| Complexity | 1281.3612 |
Chemical Identifiers
| CAS Number | 799771-98-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)CCNC(=O)/C(=C\C3=CN=CC=C3)/NC(=O)C4=CC=CC=C4Cl |
Product Overview
(E)-N-(3-((2-(1H-indol-3-yl)ethyl)amino)-3-oxo-1-(pyridin-3-yl)prop-1-en-2-yl)-2-chlorobenzamide (CAS 799771-98-5), with molecular formula C25H21ClN4O2 and molecular weight 444.14 g/mol. IUPAC: 2-chloro-N-[(E)-3-[2-(1H-indol-3-yl)ethylamino]-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide.
Chemical Property Profile of (E)-N-(3-((2-(1H-indol-3-yl)ethyl)amino)-3-oxo-1-(pyridin-3-yl)prop-1-en-2-yl)-2-chlorobenzamide
Property Insights of (E)-N-(3-((2-(1H-indol-3-yl)ethyl)amino)-3-oxo-1-(pyridin-3-yl)prop-1-en-2-yl)-2-chlorobenzamide
The XLogP value of 4.3461 indicates that (E)-N-(3-((2-(1H-indol-3-yl)ethyl)amino)-3-oxo-1-(pyridin-3-yl)prop-1-en-2-yl)-2-chlorobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.88 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N-(3-((2-(1H-indol-3-yl)ethyl)amino)-3-oxo-1-(pyridin-3-yl)prop-1-en-2-yl)-2-chlorobenzamide. Following Lipinski's Rule of Five, (E)-N-(3-((2-(1H-indol-3-yl)ethyl)amino)-3-oxo-1-(pyridin-3-yl)prop-1-en-2-yl)-2-chlorobenzamide has 3 hydrogen bond donor(s) and 3 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-(3-((2-(1H-indol-3-yl)ethyl)amino)-3-oxo-1-(pyridin-3-yl)prop-1-en-2-yl)-2-chlorobenzamide?
The CAS number of (E)-N-(3-((2-(1H-indol-3-yl)ethyl)amino)-3-oxo-1-(pyridin-3-yl)prop-1-en-2-yl)-2-chlorobenzamide is 799771-98-5.
What is the molecular formula of (E)-N-(3-((2-(1H-indol-3-yl)ethyl)amino)-3-oxo-1-(pyridin-3-yl)prop-1-en-2-yl)-2-chlorobenzamide?
The molecular formula of (E)-N-(3-((2-(1H-indol-3-yl)ethyl)amino)-3-oxo-1-(pyridin-3-yl)prop-1-en-2-yl)-2-chlorobenzamide is C25H21ClN4O2.
What is the molecular weight of (E)-N-(3-((2-(1H-indol-3-yl)ethyl)amino)-3-oxo-1-(pyridin-3-yl)prop-1-en-2-yl)-2-chlorobenzamide?
The molecular weight of (E)-N-(3-((2-(1H-indol-3-yl)ethyl)amino)-3-oxo-1-(pyridin-3-yl)prop-1-en-2-yl)-2-chlorobenzamide is 444.14 g/mol.
Where can I buy (E)-N-(3-((2-(1H-indol-3-yl)ethyl)amino)-3-oxo-1-(pyridin-3-yl)prop-1-en-2-yl)-2-chlorobenzamide?
You can request a quote for (E)-N-(3-((2-(1H-indol-3-yl)ethyl)amino)-3-oxo-1-(pyridin-3-yl)prop-1-en-2-yl)-2-chlorobenzamide 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-((2-(1H-indol-3-yl)ethyl)amino)-3-oxo-1-(pyridin-3-yl)prop-1-en-2-yl)-2-chlorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-(3-((2-(1H-indol-3-yl)ethyl)amino)-3-oxo-1-(pyridin-3-yl)prop-1-en-2-yl)-2-chlorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.