Tirilazad Mesylate
TL;DR: Tirilazad Mesylate (CAS 110101-67-2) is a chemical compound with molecular formula C39H56N6O5S and molecular weight 720.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(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)
| Molecular Formula | C39H56N6O5S |
|---|---|
| Molecular Weight | 720.40 g/mol |
| LogP | 4.96 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 720.4033 |
| Heavy Atoms | 51 |
| Complexity | 1380.0 |
Chemical Identifiers
| CAS Number | 110101-67-2 |
|---|---|
| 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 |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tirilazad Mesylate (CAS 110101-67-2), with molecular formula C39H56N6O5S and molecular weight 720.40 g/mol. IUPAC: (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.
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
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 720.40 g/mol.
Where can I buy Tirilazad Mesylate?
You can request a quote for Tirilazad Mesylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tirilazad Mesylate?
Yes, KEHONG BIO provides custom synthesis services for Tirilazad Mesylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.