WR 184806
TL;DR: WR 184806 (CAS 59227-74-6) is a chemical compound with molecular formula C18H20F6N2O and molecular weight 394.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-3-(tert-butylamino)propan-1-ol
Also Known As: WR 1848Q6, WR 184806, NCI60_002598, 1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-3-(tert-butylamino)propan-1-ol, WR 184,806
| Molecular Formula | C18H20F6N2O |
|---|---|
| Molecular Weight | 394.15 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 45.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 394.14798 |
| Heavy Atoms | 27 |
| Complexity | 488.0 |
Chemical Identifiers
| CAS Number | 59227-74-6 |
|---|---|
| SMILES | CC(C)(C)NCCC(C1=CC(=NC2=C1C=CC=C2C(F)(F)F)C(F)(F)F)O |
| InChIKey | NEZJFNMPGLCANK-UHFFFAOYSA-N |
Product Overview
WR 184806 (CAS 59227-74-6), with molecular formula C18H20F6N2O and molecular weight 394.15 g/mol. IUPAC: 1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-3-(tert-butylamino)propan-1-ol.
Chemical Property Profile of WR 184806
Property Insights of WR 184806
The XLogP value of 4.1 indicates that WR 184806 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.2 Ų, WR 184806 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, WR 184806 has 2 hydrogen bond donor(s) and 9 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 WR 184806?
The CAS number of WR 184806 is 59227-74-6.
What is the molecular formula of WR 184806?
The molecular formula of WR 184806 is C18H20F6N2O.
What is the molecular weight of WR 184806?
The molecular weight of WR 184806 is 394.15 g/mol.
Where can I buy WR 184806?
You can request a quote for WR 184806 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for WR 184806?
Yes, KEHONG BIO provides custom synthesis services for WR 184806 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.