GW806742X
TL;DR: GW806742X (CAS 579515-63-2) is a chemical compound with molecular formula C25H22F3N7O4S and molecular weight 573.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[methyl-[2-(3-sulfamoylanilino)pyrimidin-4-yl]amino]phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
Also Known As: GW806742X, urea deriv. 23, MLKL compound 1, EX-A1843, GW806742X?
| Molecular Formula | C25H22F3N7O4S |
|---|---|
| Molecular Weight | 573.14 g/mol |
| LogP | 5.1781 |
| Topological Polar Surface Area | 151.57 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 573.1406 |
| Heavy Atoms | 40 |
| Complexity | 1600.2498 |
Chemical Identifiers
| CAS Number | 579515-63-2 |
|---|---|
| SMILES | CN(C1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)OC(F)(F)F)C3=NC(=NC=C3)NC4=CC(=CC=C4)S(=O)(=O)N |
Product Overview
GW806742X (CAS 579515-63-2), with molecular formula C25H22F3N7O4S and molecular weight 573.14 g/mol. IUPAC: 1-[4-[methyl-[2-(3-sulfamoylanilino)pyrimidin-4-yl]amino]phenyl]-3-[4-(trifluoromethoxy)phenyl]urea.
Chemical Property Profile of GW806742X
Property Insights of GW806742X
The XLogP value of 5.1781 indicates that GW806742X is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 151.57 Ų indicates high polarity, suggesting GW806742X may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, GW806742X has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of GW806742X?
The CAS number of GW806742X is 579515-63-2.
What is the molecular formula of GW806742X?
The molecular formula of GW806742X is C25H22F3N7O4S.
What is the molecular weight of GW806742X?
The molecular weight of GW806742X is 573.14 g/mol.
Where can I buy GW806742X?
You can request a quote for GW806742X directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for GW806742X?
Yes, KEHONG BIO provides custom synthesis services for GW806742X and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.