Desmethyltirilazad
TL;DR: Desmethyltirilazad (CAS 111667-91-5) is a chemical compound with molecular formula C37H50N6O2 and molecular weight 610.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(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
| Molecular Formula | C37H50N6O2 |
|---|---|
| Molecular Weight | 610.40 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 72.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 610.39954 |
| Heavy Atoms | 45 |
| Complexity | 1260.0 |
Chemical Identifiers
| CAS Number | 111667-91-5 |
|---|---|
| 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 |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Desmethyltirilazad (CAS 111667-91-5), with molecular formula C37H50N6O2 and molecular weight 610.40 g/mol. IUPAC: (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.
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
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 610.40 g/mol.
Where can I buy Desmethyltirilazad?
You can request a quote for Desmethyltirilazad directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Desmethyltirilazad?
Yes, KEHONG BIO provides custom synthesis services for Desmethyltirilazad and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.