Desmethyltirilazad
TL;DR: Desmethyltirilazad (CAS 111667-91-5) is a chemical compound with molecular formula C37H50N6O2 and molecular weight 610.39954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(8S,10S,13S,14S,17S)-17-[2-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetyl]-10,13-dimethyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
Also Known As: Desmethyltirilazad, U-74389G maleate, Lopac0_001215, u-74389g, SDCCGSBI-0051182.P002
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C37H50N6O2 |
| Molecular Weight | 610.39954 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 72.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 610.39954 Da |
| Heavy Atoms | 45 |
| Complexity | 1260.0 |
| SMILES | C[C@]12CC=C3[C@H]([C@@H]1CC[C@@H]2C(=O)CN4CCN(CC4)C5=NC(=NC(=C5)N6CCCC6)N7CCCC7)CCC8=CC(=O)C=C[C@@]83C |
| InChIKey | LBGLGTAQLROFTM-IVXSZDMTSA-N |
Chemical Property Profile of Desmethyltirilazad
Property Insights of Desmethyltirilazad
The XLogP value of 5.5 indicates that Desmethyltirilazad is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Desmethyltirilazad. Following Lipinski's Rule of Five, Desmethyltirilazad has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Desmethyltirilazad?
The CAS number of Desmethyltirilazad is 111667-91-5.
What is the molecular formula of Desmethyltirilazad?
The molecular formula of Desmethyltirilazad is C37H50N6O2.
What is the molecular weight of Desmethyltirilazad?
The molecular weight of Desmethyltirilazad is 610.39954 g/mol.
Where can I buy Desmethyltirilazad?
You can request a quote for Desmethyltirilazad directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Desmethyltirilazad?
Yes, CoreyChem provides custom synthesis services for Desmethyltirilazad and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.