Sorafenib N-Oxide
TL;DR: Sorafenib N-Oxide (CAS 583855-46-3) is a chemical compound with molecular formula C21H16ClF3N4O4 and molecular weight 480.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methyl-1-oxidopyridin-1-ium-2-carboxamide
Also Known As: Sorafenib N-Oxide, Sorafenib-N-oxide, Srf-nox, Sorafenib N oxide, Sorafenib metabolite M2
| Molecular Formula | C21H16ClF3N4O4 |
|---|---|
| Molecular Weight | 480.08 g/mol |
| LogP | 4.7881 |
| Topological Polar Surface Area | 106.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 480.0812 |
| Heavy Atoms | 33 |
| Complexity | 1187.1176 |
Chemical Identifiers
| CAS Number | 583855-46-3 |
|---|---|
| SMILES | CNC(=O)C1=[N+](C=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)[O-] |
Product Overview
Sorafenib N-Oxide (CAS 583855-46-3), with molecular formula C21H16ClF3N4O4 and molecular weight 480.08 g/mol. IUPAC: 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methyl-1-oxidopyridin-1-ium-2-carboxamide.
Chemical Property Profile of Sorafenib N-Oxide
Property Insights of Sorafenib N-Oxide
The XLogP value of 4.7881 indicates that Sorafenib N-Oxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Sorafenib N-Oxide. Following Lipinski's Rule of Five, Sorafenib N-Oxide has 3 hydrogen bond donor(s) and 4 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 Sorafenib N-Oxide?
The CAS number of Sorafenib N-Oxide is 583855-46-3.
What is the molecular formula of Sorafenib N-Oxide?
The molecular formula of Sorafenib N-Oxide is C21H16ClF3N4O4.
What is the molecular weight of Sorafenib N-Oxide?
The molecular weight of Sorafenib N-Oxide is 480.08 g/mol.
Where can I buy Sorafenib N-Oxide?
You can request a quote for Sorafenib N-Oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sorafenib N-Oxide?
Yes, KEHONG BIO provides custom synthesis services for Sorafenib N-Oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.