Tirilazad Mesylate
TL;DR: Tirilazad Mesylate (CAS 110101-67-2) is a chemical compound with molecular formula C39H56N6O5S and molecular weight 720.4033 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(8S,10S,13S,14S,16R,17S)-17-[2-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetyl]-10,13,16-trimethyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one;methanesulfonic acid
Also Known As: Tirilazad mesylate, Freedox, Tirilazad, Tirilazad mesilate, Freedox (TN)
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C39H56N6O5S |
| Molecular Weight | 720.4033 g/mol |
| XLogP | 4.96 |
| Topological Polar Surface Area (TPSA) | 136.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 720.4033 Da |
| Heavy Atoms | 51 |
| Complexity | 1380.0 |
| SMILES | C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C3=CC[C@@]2([C@H]1C(=O)CN5CCN(CC5)C6=NC(=NC(=C6)N7CCCC7)N8CCCC8)C)C.CS(=O)(=O)O |
| InChIKey | HPZOOQSXPMEJBV-ODCFVKFUSA-N |
Chemical Property Profile of Tirilazad Mesylate
Property Insights of Tirilazad Mesylate
The XLogP value of 4.96 indicates that Tirilazad Mesylate 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 Tirilazad Mesylate. Following Lipinski's Rule of Five, Tirilazad Mesylate 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 Tirilazad Mesylate?
The CAS number of Tirilazad Mesylate is 110101-67-2.
What is the molecular formula of Tirilazad Mesylate?
The molecular formula of Tirilazad Mesylate is C39H56N6O5S.
What is the molecular weight of Tirilazad Mesylate?
The molecular weight of Tirilazad Mesylate is 720.4033 g/mol.
Where can I buy Tirilazad Mesylate?
You can request a quote for Tirilazad Mesylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Tirilazad Mesylate?
Yes, CoreyChem provides custom synthesis services for Tirilazad Mesylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.