尼洛替尼
TL;DR: 尼洛替尼 (CAS 641571-10-0) is a chemical compound with molecular formula C51H76N2O14 and molecular weight 940.53 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
尼洛替尼
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
| Molecular Formula | C51H76N2O14 |
|---|---|
| Molecular Weight | 940.53 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 217.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 11 |
| Exact Mass | 940.52966 |
| Heavy Atoms | 67 |
| Complexity | 1730.0 |
Chemical Identifiers
| CAS Number | 641571-10-0 |
|---|---|
| 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 Overview
尼洛替尼 (CAS 641571-10-0), with molecular formula C51H76N2O14 and molecular weight 940.53 g/mol. IUPAC: 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.
Chemical Property Profile of 尼洛替尼
Property Insights of 尼洛替尼
The XLogP value of 3.2 indicates that 尼罗替尼 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 217.0 Ų indicates high polarity, suggesting 尼洛替尼 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 尼罗替尼 has 4 hydrogen bond donor(s) and 14 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 641571-10-0.
What is the molecular formula of 尼罗替尼?
The molecular formula of 尼罗替尼 is C51H76N2O14.
What is the molecular weight of 尼罗替尼?
The molecular weight of 尼罗替尼 is 940.53 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.