Toceranib
TL;DR: Toceranib (CAS 356068-94-5) is a chemical compound with molecular formula C22H25FN4O2 and molecular weight 396.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide
Also Known As: Toceranib, Palladia, toceranibum, Palladiar, Toceranib free base
| Molecular Formula | C22H25FN4O2 |
|---|---|
| Molecular Weight | 396.20 g/mol |
| LogP | 3.08894 |
| Topological Polar Surface Area | 77.23 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.19617 |
| Heavy Atoms | 29 |
| Complexity | 1002.48145 |
Chemical Identifiers
| CAS Number | 356068-94-5 |
|---|---|
| SMILES | CC1=C(NC(=C1C(=O)NCCN2CCCC2)C)/C=C\3/C4=C(C=CC(=C4)F)NC3=O |
Product Overview
Toceranib (CAS 356068-94-5), with molecular formula C22H25FN4O2 and molecular weight 396.20 g/mol. IUPAC: 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide.
Chemical Property Profile of Toceranib
Property Insights of Toceranib
The XLogP value of 3.08894 indicates that Toceranib is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.23 Ų falls within the moderate polarity range, balancing permeability and solubility for Toceranib. Following Lipinski's Rule of Five, Toceranib has 3 hydrogen bond donor(s) and 3 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 Toceranib?
The CAS number of Toceranib is 356068-94-5.
What is the molecular formula of Toceranib?
The molecular formula of Toceranib is C22H25FN4O2.
What is the molecular weight of Toceranib?
The molecular weight of Toceranib is 396.20 g/mol.
Where can I buy Toceranib?
You can request a quote for Toceranib directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Toceranib?
Yes, KEHONG BIO provides custom synthesis services for Toceranib and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.