9-Hydroxycerevisterol
TL;DR: 9-Hydroxycerevisterol (CAS 88191-06-4) is a chemical compound with molecular formula C28H46O4 and molecular weight 446.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,5R,6R,9R,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,6,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,5,6,9-tetrol
Also Known As: 9-hydroxycerevisterol, (22E,24R)-ergosta-7,22-diene-3beta,5alpha,6beta,9alpha-tetrol, J1.128.239C, (22E)-5alpha-Ergosta-7,22-diene-3beta,5,6beta,9-tetrol, (3S,5R,6R,9R,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,6,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,5,6,9-tetrol
| Molecular Formula | C28H46O4 |
|---|---|
| Molecular Weight | 446.34 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 446.3396 |
| Heavy Atoms | 32 |
| Complexity | 788.0 |
Chemical Identifiers
| CAS Number | 88191-06-4 |
|---|---|
| SMILES | C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@]3(C2=C[C@H]([C@@]4([C@@]3(CC[C@@H](C4)O)C)O)O)O)C |
| InChIKey | NYMHFYDQBMRBMB-IUMXJWHTSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
9-Hydroxycerevisterol (CAS 88191-06-4), with molecular formula C28H46O4 and molecular weight 446.34 g/mol. IUPAC: (3S,5R,6R,9R,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,6,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,5,6,9-tetrol.
Chemical Property Profile of 9-Hydroxycerevisterol
Property Insights of 9-Hydroxycerevisterol
The XLogP value of 4.1 indicates that 9-Hydroxycerevisterol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-Hydroxycerevisterol. Following Lipinski's Rule of Five, 9-Hydroxycerevisterol has 4 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 9-Hydroxycerevisterol?
The CAS number of 9-Hydroxycerevisterol is 88191-06-4.
What is the molecular formula of 9-Hydroxycerevisterol?
The molecular formula of 9-Hydroxycerevisterol is C28H46O4.
What is the molecular weight of 9-Hydroxycerevisterol?
The molecular weight of 9-Hydroxycerevisterol is 446.34 g/mol.
Where can I buy 9-Hydroxycerevisterol?
You can request a quote for 9-Hydroxycerevisterol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Hydroxycerevisterol?
Yes, KEHONG BIO provides custom synthesis services for 9-Hydroxycerevisterol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.