b-Sitostenone
TL;DR: b-Sitostenone (CAS 1058-61-3) 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.
17-(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, b-Sitostenone, Stigmast-4-en-3-one, .gamma.-Sitostenone, Stigmast-4-en-3-one, (24S)-
| 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 | 1058-61-3 |
|---|---|
| SMILES | CCC(CCC(C)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)C(C)C |
| InChIKey | RUVUHIUYGJBLGI-UHFFFAOYSA-N |
Product Overview
b-Sitostenone (CAS 1058-61-3), with molecular formula C29H48O and molecular weight 412.37 g/mol. IUPAC: 17-(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 b-Sitostenone
Property Insights of b-Sitostenone
The XLogP value of 9.3 indicates that b-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, b-Sitostenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, b-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 b-Sitostenone?
The CAS number of b-Sitostenone is 1058-61-3.
What is the molecular formula of b-Sitostenone?
The molecular formula of b-Sitostenone is C29H48O.
What is the molecular weight of b-Sitostenone?
The molecular weight of b-Sitostenone is 412.37 g/mol.
Where can I buy b-Sitostenone?
You can request a quote for b-Sitostenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for b-Sitostenone?
Yes, KEHONG BIO provides custom synthesis services for b-Sitostenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.