Sitostenone
TL;DR: Sitostenone (CAS 116232-63-4) is a chemical compound with molecular formula C29H48O and molecular weight 412.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,9S,10R,13R,14S)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Also Known As: Sitostenone, BETA-ROSASTEROL, Stigmast-4-en-3-one, 4-Stigmasten-3-one, (17xi)-stigmast-4-en-3-one
| Molecular Formula | C29H48O |
|---|---|
| Molecular Weight | 412.37 g/mol |
| LogP | 9.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 412.3705 |
| Heavy Atoms | 30 |
| Complexity | 674.0 |
Chemical Identifiers
| CAS Number | 116232-63-4 |
|---|---|
| SMILES | CC[C@H](CC[C@@H](C)C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)C(C)C |
| InChIKey | RUVUHIUYGJBLGI-VCVIHXEESA-N |
Product Overview
Sitostenone (CAS 116232-63-4), with molecular formula C29H48O and molecular weight 412.37 g/mol. IUPAC: (8S,9S,10R,13R,14S)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of Sitostenone
Property Insights of Sitostenone
The XLogP value of 9.3 indicates that Sitostenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, Sitostenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sitostenone has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sitostenone?
The CAS number of Sitostenone is 116232-63-4.
What is the molecular formula of Sitostenone?
The molecular formula of Sitostenone is C29H48O.
What is the molecular weight of Sitostenone?
The molecular weight of Sitostenone is 412.37 g/mol.
Where can I buy Sitostenone?
You can request a quote for Sitostenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sitostenone?
Yes, KEHONG BIO provides custom synthesis services for Sitostenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.