5E-561
TL;DR: 5E-561 (CAS 338755-47-8) is a chemical compound with molecular formula C20H14Cl2F3N3O2 and molecular weight 455.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-[(3,4-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea
Also Known As: 5E-561, 1-[1-[(3,4-dichlorophenyl)methyl]-2-oxopyridin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea, 3-{1-[(3,4-dichlorophenyl)methyl]-2-oxo-1,2-dihydropyridin-3-yl}-1-[3-(trifluoromethyl)phenyl]urea, N-[1-(3,4-dichlorobenzyl)-2-oxo-1,2-dihydro-3-pyridinyl]-N'-[3-(trifluoromethyl)phenyl]urea, 1-[1-[(3,4-dichlorophenyl)methyl]-2-oxo-pyridin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea
| Molecular Formula | C20H14Cl2F3N3O2 |
|---|---|
| Molecular Weight | 455.04 g/mol |
| LogP | 5.8662 |
| Topological Polar Surface Area | 63.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 455.0415 |
| Heavy Atoms | 30 |
| Complexity | 1146.626 |
Chemical Identifiers
| CAS Number | 338755-47-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=O)NC2=CC=CN(C2=O)CC3=CC(=C(C=C3)Cl)Cl)C(F)(F)F |
Product Overview
5E-561 (CAS 338755-47-8), with molecular formula C20H14Cl2F3N3O2 and molecular weight 455.04 g/mol. IUPAC: 1-[1-[(3,4-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea.
Chemical Property Profile of 5E-561
Property Insights of 5E-561
The XLogP value of 5.8662 indicates that 5E-561 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 5E-561. Following Lipinski's Rule of Five, 5E-561 has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5E-561?
The CAS number of 5E-561 is 338755-47-8.
What is the molecular formula of 5E-561?
The molecular formula of 5E-561 is C20H14Cl2F3N3O2.
What is the molecular weight of 5E-561?
The molecular weight of 5E-561 is 455.04 g/mol.
Where can I buy 5E-561?
You can request a quote for 5E-561 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5E-561?
Yes, KEHONG BIO provides custom synthesis services for 5E-561 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.