Nilotinib
TL;DR: Nilotinib (CAS 641571-10-0) is a chemical compound with molecular formula C51H76N2O14 and molecular weight 940.52966 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[1,14-dihydroxy-12-[1-(4-hydroxy-3-methoxycyclohexyl)prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-2,3,10,16-tetraoxo-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-en-17-yl]ethyl N-benzylcarbamate
Also Known As: Nilotinib, 4-Methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-(4-(pyridin-3-yl)pyrimidin-2-ylamino)benzamide, FKA
Technical Specifications
| Molecular Formula | C51H76N2O14 |
| Molecular Weight | 940.52966 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 217.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 11 |
| Exact Mass | 940.52966 Da |
| Heavy Atoms | 67 |
| Complexity | 1730.0 |
| SMILES | CC1CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC(=O)C(C=C(C1)C)CCOC(=O)NCC4=CC=CC=C4)O)C)C(=CC5CCC(C(C5)OC)O)C)O)C)OC)OC |
| InChIKey | JEQCTALUECDHLT-UHFFFAOYSA-N |
Product Description
Applications: Nilotinib is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A fine chemical supplied by CoreyChem, Nilotinib (CAS 641571-10-0) has the molecular formula C51H76N2O14 and a molecular weight of 940.53 g/mol. Synonyms include Nilotinib and 4-Methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-(4-(pyridin-3-yl)pyrimidin-2-ylamino)benzamide.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Nilotinib
Property Insights of Nilotinib
The XLogP value of 3.2 indicates that Nilotinib is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 217.0 Ų indicates high polarity, suggesting Nilotinib may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Nilotinib has 4 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Nilotinib?
The CAS number of Nilotinib is 641571-10-0.
What is the molecular formula of Nilotinib?
The molecular formula of Nilotinib is C51H76N2O14.
What is the molecular weight of Nilotinib?
The molecular weight of Nilotinib is 940.52966 g/mol.
What are the applications of Nilotinib?
Nilotinib is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Where can I buy Nilotinib?
You can request a quote for Nilotinib directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Nilotinib?
Yes, CoreyChem provides custom synthesis services for Nilotinib and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.