beta-Sitosterol acetate
TL;DR: beta-Sitosterol acetate (CAS 915-05-9) is a chemical compound with molecular formula C31H52O2 and molecular weight 456.40 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-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Also Known As: beta-Sitosterol acetate, Sitosteryl acetate, Sitosterol acetate, b-Sitosterol acetate, beta-Sitosteryl acetate
| Molecular Formula | C31H52O2 |
|---|---|
| Molecular Weight | 456.40 g/mol |
| LogP | 9.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 456.39673 |
| Heavy Atoms | 33 |
| Complexity | 737.0 |
Chemical Identifiers
| CAS Number | 915-05-9 |
|---|---|
| SMILES | CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C)C(C)C |
| InChIKey | PBWOIPCULUXTNY-UHFFFAOYSA-N |
Product Overview
beta-Sitosterol acetate (CAS 915-05-9), with molecular formula C31H52O2 and molecular weight 456.40 g/mol. IUPAC: [17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate.
Chemical Property Profile of beta-Sitosterol acetate
Property Insights of beta-Sitosterol acetate
The XLogP value of 9.9 indicates that beta-Sitosterol acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, beta-Sitosterol acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-Sitosterol acetate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of beta-Sitosterol acetate?
The CAS number of beta-Sitosterol acetate is 915-05-9.
What is the molecular formula of beta-Sitosterol acetate?
The molecular formula of beta-Sitosterol acetate is C31H52O2.
What is the molecular weight of beta-Sitosterol acetate?
The molecular weight of beta-Sitosterol acetate is 456.40 g/mol.
Where can I buy beta-Sitosterol acetate?
You can request a quote for beta-Sitosterol acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Sitosterol acetate?
Yes, KEHONG BIO provides custom synthesis services for beta-Sitosterol acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.