![1-(2-(2-amino-3-cyano-1H-pyrrolo[2,3-b]quinoxalin-1-yl)ethyl)-3-(3-(trifluoromethyl)phenyl)urea structure](/static/products/384/384357-22-6.png)
1-(2-(2-amino-3-cyano-1H-pyrrolo[2,3-b]quinoxalin-1-yl)ethyl)-3-(3-(trifluoromethyl)phenyl)urea
TL;DR: 1-(2-(2-amino-3-cyano-1H-pyrrolo[2,3-b]quinoxalin-1-yl)ethyl)-3-(3-(trifluoromethyl)phenyl)urea (CAS 384357-22-6) is a chemical compound with molecular formula C21H16F3N7O and molecular weight 439.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(2-amino-3-cyanopyrrolo[3,2-b]quinoxalin-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
Also Known As: 1-(2-(2-amino-3-cyano-1H-pyrrolo[2,3-b]quinoxalin-1-yl)ethyl)-3-(3-(trifluoromethyl)phenyl)urea, 1-[2-(2-amino-3-cyano-1H-pyrrolo[2,3-b]quinoxalin-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea, 1-[2-(2-amino-3-cyanopyrrolo[3,2-b]quinoxalin-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
| Molecular Formula | C21H16F3N7O |
|---|---|
| Molecular Weight | 439.14 g/mol |
| LogP | 3.87888 |
| Topological Polar Surface Area | 121.65 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 439.13684 |
| Heavy Atoms | 32 |
| Complexity | 1371.8246 |
Chemical Identifiers
| CAS Number | 384357-22-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C3C(=C(N(C3=N2)CCNC(=O)NC4=CC=CC(=C4)C(F)(F)F)N)C#N |
Product Overview
1-(2-(2-amino-3-cyano-1H-pyrrolo[2,3-b]quinoxalin-1-yl)ethyl)-3-(3-(trifluoromethyl)phenyl)urea (CAS 384357-22-6), with molecular formula C21H16F3N7O and molecular weight 439.14 g/mol. IUPAC: 1-[2-(2-amino-3-cyanopyrrolo[3,2-b]quinoxalin-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea.
Chemical Property Profile of 1-(2-(2-amino-3-cyano-1H-pyrrolo[2,3-b]quinoxalin-1-yl)ethyl)-3-(3-(trifluoromethyl)phenyl)urea
Property Insights of 1-(2-(2-amino-3-cyano-1H-pyrrolo[2,3-b]quinoxalin-1-yl)ethyl)-3-(3-(trifluoromethyl)phenyl)urea
The XLogP value of 3.87888 indicates that 1-(2-(2-amino-3-cyano-1H-pyrrolo[2,3-b]quinoxalin-1-yl)ethyl)-3-(3-(trifluoromethyl)phenyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-(2-amino-3-cyano-1H-pyrrolo[2,3-b]quinoxalin-1-yl)ethyl)-3-(3-(trifluoromethyl)phenyl)urea. Following Lipinski's Rule of Five, 1-(2-(2-amino-3-cyano-1H-pyrrolo[2,3-b]quinoxalin-1-yl)ethyl)-3-(3-(trifluoromethyl)phenyl)urea has 3 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 1-(2-(2-amino-3-cyano-1H-pyrrolo[2,3-b]quinoxalin-1-yl)ethyl)-3-(3-(trifluoromethyl)phenyl)urea?
The CAS number of 1-(2-(2-amino-3-cyano-1H-pyrrolo[2,3-b]quinoxalin-1-yl)ethyl)-3-(3-(trifluoromethyl)phenyl)urea is 384357-22-6.
What is the molecular formula of 1-(2-(2-amino-3-cyano-1H-pyrrolo[2,3-b]quinoxalin-1-yl)ethyl)-3-(3-(trifluoromethyl)phenyl)urea?
The molecular formula of 1-(2-(2-amino-3-cyano-1H-pyrrolo[2,3-b]quinoxalin-1-yl)ethyl)-3-(3-(trifluoromethyl)phenyl)urea is C21H16F3N7O.
What is the molecular weight of 1-(2-(2-amino-3-cyano-1H-pyrrolo[2,3-b]quinoxalin-1-yl)ethyl)-3-(3-(trifluoromethyl)phenyl)urea?
The molecular weight of 1-(2-(2-amino-3-cyano-1H-pyrrolo[2,3-b]quinoxalin-1-yl)ethyl)-3-(3-(trifluoromethyl)phenyl)urea is 439.14 g/mol.
Where can I buy 1-(2-(2-amino-3-cyano-1H-pyrrolo[2,3-b]quinoxalin-1-yl)ethyl)-3-(3-(trifluoromethyl)phenyl)urea?
You can request a quote for 1-(2-(2-amino-3-cyano-1H-pyrrolo[2,3-b]quinoxalin-1-yl)ethyl)-3-(3-(trifluoromethyl)phenyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-(2-amino-3-cyano-1H-pyrrolo[2,3-b]quinoxalin-1-yl)ethyl)-3-(3-(trifluoromethyl)phenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-(2-amino-3-cyano-1H-pyrrolo[2,3-b]quinoxalin-1-yl)ethyl)-3-(3-(trifluoromethyl)phenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.