N-Desmethyl vandetanib
TL;DR: N-Desmethyl vandetanib (CAS 338992-12-4) is a chemical compound with molecular formula C21H22BrFN4O2 and molecular weight 460.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromo-2-fluorophenyl)-6-methoxy-7-(piperidin-4-ylmethoxy)quinazolin-4-amine
Also Known As: N-Desmethyl vandetanib, N-Demethyl Vandetanib, N-Desmethylvandetanib, N-Desmethyl-ZD6474, 4-Anilinoquinazoline 22
| Molecular Formula | C21H22BrFN4O2 |
|---|---|
| Molecular Weight | 460.09 g/mol |
| LogP | 4.662 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 460.09103 |
| Heavy Atoms | 29 |
| Complexity | 1011.3828 |
Chemical Identifiers
| CAS Number | 338992-12-4 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=C(C=C3)Br)F)OCC4CCNCC4 |
Product Overview
N-Desmethyl vandetanib (CAS 338992-12-4), with molecular formula C21H22BrFN4O2 and molecular weight 460.09 g/mol. IUPAC: N-(4-bromo-2-fluorophenyl)-6-methoxy-7-(piperidin-4-ylmethoxy)quinazolin-4-amine.
Chemical Property Profile of N-Desmethyl vandetanib
Property Insights of N-Desmethyl vandetanib
The XLogP value of 4.662 indicates that N-Desmethyl vandetanib is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Desmethyl vandetanib. Following Lipinski's Rule of Five, N-Desmethyl vandetanib has 2 hydrogen bond donor(s) and 6 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 N-Desmethyl vandetanib?
The CAS number of N-Desmethyl vandetanib is 338992-12-4.
What is the molecular formula of N-Desmethyl vandetanib?
The molecular formula of N-Desmethyl vandetanib is C21H22BrFN4O2.
What is the molecular weight of N-Desmethyl vandetanib?
The molecular weight of N-Desmethyl vandetanib is 460.09 g/mol.
Where can I buy N-Desmethyl vandetanib?
You can request a quote for N-Desmethyl vandetanib directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Desmethyl vandetanib?
Yes, KEHONG BIO provides custom synthesis services for N-Desmethyl vandetanib and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.