Tirilazad mesylate monohydrate
TL;DR: Tirilazad mesylate monohydrate (CAS 149042-61-5) is a chemical compound with molecular formula C39H58N6O6S and molecular weight 738.41 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;hydrate
Also Known As: Tirilazad mesylate, Freedox, Tridax, Tirilazad mesylate hydrate, Tirilazad mesilate
| Molecular Formula | C39H58N6O6S |
|---|---|
| Molecular Weight | 738.41 g/mol |
| LogP | 4.1376 |
| Topological Polar Surface Area | 158.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 738.4139 |
| Heavy Atoms | 52 |
| Complexity | 1683.2131 |
Chemical Identifiers
| CAS Number | 149042-61-5 |
|---|---|
| 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.O |
Product Overview
Tirilazad mesylate monohydrate (CAS 149042-61-5), with molecular formula C39H58N6O6S and molecular weight 738.41 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;hydrate.
Chemical Property Profile of Tirilazad mesylate monohydrate
Property Insights of Tirilazad mesylate monohydrate
The XLogP value of 4.1376 indicates that Tirilazad mesylate monohydrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 158.75 Ų indicates high polarity, suggesting Tirilazad mesylate monohydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tirilazad mesylate monohydrate has 1 hydrogen bond donor(s) and 10 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 monohydrate?
The CAS number of Tirilazad mesylate monohydrate is 149042-61-5.
What is the molecular formula of Tirilazad mesylate monohydrate?
The molecular formula of Tirilazad mesylate monohydrate is C39H58N6O6S.
What is the molecular weight of Tirilazad mesylate monohydrate?
The molecular weight of Tirilazad mesylate monohydrate is 738.41 g/mol.
Where can I buy Tirilazad mesylate monohydrate?
You can request a quote for Tirilazad mesylate monohydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tirilazad mesylate monohydrate?
Yes, KEHONG BIO provides custom synthesis services for Tirilazad mesylate monohydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.