7-Desacetylproceranone
TL;DR: 7-Desacetylproceranone (CAS 79203-53-5) is a chemical compound with molecular formula C26H34O4 and molecular weight 410.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3bR,4R,5aR,10aR,10bR,12aS)-1-(furan-3-yl)-4-hydroxy-3b,6,6,10a,12a-pentamethyl-1,2,4,5,5a,10b,11,12-octahydroindeno[5,4-g][2]benzoxepin-8-one
Also Known As: 7-Desacetylproceranone, PROCERANONE, 7-DESACETYL-, (3bR,4R,5aR,10aR,10bR,12aS)-1-(furan-3-yl)-4-hydroxy-3b,6,6,10a,12a-pentamethyl-1,2,4,5,5a,10b,11,12-octahydroindeno[5,4-g][2]benzoxepin-8-one, (5aR,5bR,7aS,10bR,11R,12aR)-8-(Furan-3-yl)-11-hydroxy-1,1,5a,7a,10b-pentamethyl-1,5a,5b,6,7,7a,8,9,10b,11,12,12a-dodecahydro-3H-cyclopenta[5,6]naphtho[2,1-c]oxepin-3-one
| Molecular Formula | C26H34O4 |
|---|---|
| Molecular Weight | 410.25 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 59.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 410.2457 |
| Heavy Atoms | 30 |
| Complexity | 812.0 |
Chemical Identifiers
| CAS Number | 79203-53-5 |
|---|---|
| SMILES | C[C@@]12CC[C@@H]3[C@]4(C=CC(=O)OC([C@@H]4C[C@H]([C@]3(C1=CCC2C5=COC=C5)C)O)(C)C)C |
| InChIKey | ZPDGIAXQQRWSBB-IQNVCQIZSA-N |
Product Overview
7-Desacetylproceranone (CAS 79203-53-5), with molecular formula C26H34O4 and molecular weight 410.25 g/mol. IUPAC: (3bR,4R,5aR,10aR,10bR,12aS)-1-(furan-3-yl)-4-hydroxy-3b,6,6,10a,12a-pentamethyl-1,2,4,5,5a,10b,11,12-octahydroindeno[5,4-g][2]benzoxepin-8-one.
Chemical Property Profile of 7-Desacetylproceranone
Property Insights of 7-Desacetylproceranone
The XLogP value of 5.0 indicates that 7-Desacetylproceranone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.7 Ų, 7-Desacetylproceranone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Desacetylproceranone has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7-Desacetylproceranone?
The CAS number of 7-Desacetylproceranone is 79203-53-5.
What is the molecular formula of 7-Desacetylproceranone?
The molecular formula of 7-Desacetylproceranone is C26H34O4.
What is the molecular weight of 7-Desacetylproceranone?
The molecular weight of 7-Desacetylproceranone is 410.25 g/mol.
Where can I buy 7-Desacetylproceranone?
You can request a quote for 7-Desacetylproceranone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Desacetylproceranone?
Yes, KEHONG BIO provides custom synthesis services for 7-Desacetylproceranone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.