Azadirone II, 7-deacetyl
TL;DR: Azadirone II, 7-deacetyl (CAS 79203-48-8) is a chemical compound with molecular formula C26H34O3 and molecular weight 394.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5R,7R,8R,9R,10R,13S,17R)-17-(furan-3-yl)-7-hydroxy-4,4,8,10,13-pentamethyl-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-3-one
Also Known As: 7-Deacetylazadirone, 7-Deacetylazadirone II, AZADIRONE II, 7-DEACETYL, J3.167.286D, (13alpha,17alpha)-7alpha-Hydroxy-21,23-epoxy-4,4,8-trimethyl-24-nor-5alpha-chola-1,14,20,22-tetraene-3-one
| Molecular Formula | C26H34O3 |
|---|---|
| Molecular Weight | 394.25 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 50.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 394.2508 |
| Heavy Atoms | 29 |
| Complexity | 794.0 |
Chemical Identifiers
| CAS Number | 79203-48-8 |
|---|---|
| SMILES | C[C@@]12CC[C@@H]3[C@]4(C=CC(=O)C([C@@H]4C[C@H]([C@]3(C1=CC[C@H]2C5=COC=C5)C)O)(C)C)C |
| InChIKey | CKDPEAINBFYEHJ-JDGKMSDRSA-N |
Product Overview
Azadirone II, 7-deacetyl (CAS 79203-48-8), with molecular formula C26H34O3 and molecular weight 394.25 g/mol. IUPAC: (5R,7R,8R,9R,10R,13S,17R)-17-(furan-3-yl)-7-hydroxy-4,4,8,10,13-pentamethyl-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of Azadirone II, 7-deacetyl
Property Insights of Azadirone II, 7-deacetyl
The XLogP value of 5.1 indicates that Azadirone II, 7-deacetyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.4 Ų, Azadirone II, 7-deacetyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Azadirone II, 7-deacetyl has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Azadirone II, 7-deacetyl?
The CAS number of Azadirone II, 7-deacetyl is 79203-48-8.
What is the molecular formula of Azadirone II, 7-deacetyl?
The molecular formula of Azadirone II, 7-deacetyl is C26H34O3.
What is the molecular weight of Azadirone II, 7-deacetyl?
The molecular weight of Azadirone II, 7-deacetyl is 394.25 g/mol.
Where can I buy Azadirone II, 7-deacetyl?
You can request a quote for Azadirone II, 7-deacetyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Azadirone II, 7-deacetyl?
Yes, KEHONG BIO provides custom synthesis services for Azadirone II, 7-deacetyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.