Desmethyl tirilazad
TL;DR: Desmethyl tirilazad (CAS 111668-89-4) is a chemical compound with molecular formula C38H54N6O5S and molecular weight 706.38763 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;methanesulfonic acid
Also Known As: Trilazad mesylate, Desmethyl tirilazad, 16-Desmethyltirilazid, u-74389g, U 74389F
Technical Specifications
| Molecular Formula | C38H54N6O5S |
| Molecular Weight | 706.38763 g/mol |
| XLogP | 4.72 |
| Topological Polar Surface Area (TPSA) | 136.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 706.38763 Da |
| Heavy Atoms | 50 |
| Complexity | 1350.0 |
| 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.CS(=O)(=O)O |
| InChIKey | QZGBZPCDCMUFCW-FRVIMOPGSA-N |
Chemical Property Profile of Desmethyl tirilazad
Property Insights of Desmethyl tirilazad
The XLogP value of 4.72 indicates that Desmethyl tirilazad is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Desmethyl tirilazad. Following Lipinski's Rule of Five, Desmethyl tirilazad has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Desmethyl tirilazad?
The CAS number of Desmethyl tirilazad is 111668-89-4.
What is the molecular formula of Desmethyl tirilazad?
The molecular formula of Desmethyl tirilazad is C38H54N6O5S.
What is the molecular weight of Desmethyl tirilazad?
The molecular weight of Desmethyl tirilazad is 706.38763 g/mol.
Where can I buy Desmethyl tirilazad?
You can request a quote for Desmethyl tirilazad directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Desmethyl tirilazad?
Yes, CoreyChem provides custom synthesis services for Desmethyl tirilazad and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.