Azadiron
TL;DR: Azadiron (CAS 25279-67-8) is a chemical compound with molecular formula C28H36O4 and molecular weight 436.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(5R,7R,9R,10R,13S,17R)-17-(furan-3-yl)-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] acetate
Also Known As: Azadiron, Azadirone, KST-1A3582, (5, A,7
| Molecular Formula | C28H36O4 |
|---|---|
| Molecular Weight | 436.26 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 56.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 436.26135 |
| Heavy Atoms | 32 |
| Complexity | 899.0 |
Chemical Identifiers
| CAS Number | 25279-67-8 |
|---|---|
| SMILES | CC(=O)O[C@@H]1C[C@@H]2[C@](C=CC(=O)C2(C)C)([C@@H]3C1(C4=CC[C@H]([C@@]4(CC3)C)C5=COC=C5)C)C |
| InChIKey | XXIKKMLIDXLAIK-WXRJWOCWSA-N |
Product Overview
Azadiron (CAS 25279-67-8), with molecular formula C28H36O4 and molecular weight 436.26 g/mol. IUPAC: [(5R,7R,9R,10R,13S,17R)-17-(furan-3-yl)-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] acetate.
Chemical Property Profile of Azadiron
Property Insights of Azadiron
The XLogP value of 5.7 indicates that Azadiron is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.5 Ų, Azadiron exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Azadiron has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Azadiron?
The CAS number of Azadiron is 25279-67-8.
What is the molecular formula of Azadiron?
The molecular formula of Azadiron is C28H36O4.
What is the molecular weight of Azadiron?
The molecular weight of Azadiron is 436.26 g/mol.
Where can I buy Azadiron?
You can request a quote for Azadiron directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Azadiron?
Yes, KEHONG BIO provides custom synthesis services for Azadiron and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.