Temsirolimus
TL;DR: Temsirolimus (CAS 162635-04-3) is a chemical compound with molecular formula C56H87NO16 and molecular weight 1029.6025 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-[2-(1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-12-yl)propyl]-2-methoxycyclohexyl] 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate
Also Known As: Temsirolimus, Torisel, Temserolimus, Temsirolimus [USAN], Cci 779
Technical Specifications
| Molecular Formula | C56H87NO16 |
| Molecular Weight | 1029.6025 g/mol |
| XLogP | 5.6 |
| Topological Polar Surface Area (TPSA) | 242.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 11 |
| Exact Mass | 1029.6025 Da |
| Heavy Atoms | 73 |
| Complexity | 2010.0 |
| SMILES | CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)OC(=O)C(C)(CO)CO)C)C)O)OC)C)C)C)OC |
| InChIKey | CBPNZQVSJQDFBE-UHFFFAOYSA-N |
Chemical Property Profile of Temsirolimus
Property Insights of Temsirolimus
The XLogP value of 5.6 indicates that Temsirolimus is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 242.0 Ų indicates high polarity, suggesting Temsirolimus may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Temsirolimus has 4 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Temsirolimus?
The CAS number of Temsirolimus is 162635-04-3.
What is the molecular formula of Temsirolimus?
The molecular formula of Temsirolimus is C56H87NO16.
What is the molecular weight of Temsirolimus?
The molecular weight of Temsirolimus is 1029.6025 g/mol.
Where can I buy Temsirolimus?
You can request a quote for Temsirolimus directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Temsirolimus?
Yes, CoreyChem provides custom synthesis services for Temsirolimus and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.