尼罗替尼
TL;DR: 尼罗替尼 (CAS 1353151-22-0) is a chemical compound with molecular formula C28H22F3N7O and molecular weight 529.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
尼罗替尼
4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
Also Known As: Nilotinib, Tasigna, nilotinibum, Danziten, AMN107
| Molecular Formula | C28H22F3N7O |
|---|---|
| Molecular Weight | 529.18 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 97.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 529.1838 |
| Heavy Atoms | 39 |
| Complexity | 817.0 |
Chemical Identifiers
| CAS Number | 1353151-22-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5 |
| InChIKey | HHZIURLSWUIHRB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
尼罗替尼 (CAS 1353151-22-0), with molecular formula C28H22F3N7O and molecular weight 529.18 g/mol. IUPAC: 4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide.
Chemical Property Profile of 尼罗替尼
Property Insights of 尼罗替尼
The XLogP value of 4.9 indicates that 尼罗替尼 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 尼罗替尼. Following Lipinski's Rule of Five, 尼罗替尼 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 尼罗替尼?
The CAS number of 尼罗替尼 is 1353151-22-0.
What is the molecular formula of 尼罗替尼?
The molecular formula of 尼罗替尼 is C28H22F3N7O.
What is the molecular weight of 尼罗替尼?
The molecular weight of 尼罗替尼 is 529.18 g/mol.
Where can I buy 尼罗替尼?
You can request a quote for 尼罗替尼 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 尼罗替尼?
Yes, KEHONG BIO provides custom synthesis services for 尼罗替尼 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.