Canertinib Dihydrochloride
TL;DR: Canertinib Dihydrochloride (CAS 267243-28-7) is a chemical compound with molecular formula C24H27Cl3FN5O3 and molecular weight 557.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(3-chloro-4-fluoroanilino)-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]prop-2-enamide;dihydrochloride
Also Known As: Canertinib dihydrochloride, Canertinib HCl, Canertinib 2HCl, Canertinib HCl, Canertinib (dihydrochloride)
| Molecular Formula | C24H27Cl3FN5O3 |
|---|---|
| Molecular Weight | 557.12 g/mol |
| LogP | 5.2351 |
| Topological Polar Surface Area | 88.6 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 557.11633 |
| Heavy Atoms | 36 |
| Complexity | 671.0 |
Chemical Identifiers
| CAS Number | 267243-28-7 |
|---|---|
| SMILES | C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4.Cl.Cl |
| InChIKey | JZZFDCXSFTVOJY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Canertinib Dihydrochloride (CAS 267243-28-7), with molecular formula C24H27Cl3FN5O3 and molecular weight 557.12 g/mol. IUPAC: N-[4-(3-chloro-4-fluoroanilino)-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]prop-2-enamide;dihydrochloride.
Chemical Property Profile of Canertinib Dihydrochloride
Property Insights of Canertinib Dihydrochloride
The XLogP value of 5.2351 indicates that Canertinib Dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Canertinib Dihydrochloride. Following Lipinski's Rule of Five, Canertinib Dihydrochloride 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 Canertinib Dihydrochloride?
The CAS number of Canertinib Dihydrochloride is 267243-28-7.
What is the molecular formula of Canertinib Dihydrochloride?
The molecular formula of Canertinib Dihydrochloride is C24H27Cl3FN5O3.
What is the molecular weight of Canertinib Dihydrochloride?
The molecular weight of Canertinib Dihydrochloride is 557.12 g/mol.
Where can I buy Canertinib Dihydrochloride?
You can request a quote for Canertinib Dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Canertinib Dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Canertinib Dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.