beta-Sitosteryl ferulate
TL;DR: beta-Sitosteryl ferulate (CAS 4952-28-7) is a chemical compound with molecular formula C39H58O4 and molecular weight 590.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-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] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Also Known As: beta-Sitosteryl ferulate, Sitosteryl ferulate, beta-Sitosterol ferulate, trans-Sitosteryl ferulate, Sitosterol ferulate
| Molecular Formula | C39H58O4 |
|---|---|
| Molecular Weight | 590.43 g/mol |
| LogP | 10.0033 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 590.43353 |
| Heavy Atoms | 43 |
| Complexity | 1197.6174 |
Chemical Identifiers
| CAS Number | 4952-28-7 |
|---|---|
| SMILES | CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)/C=C/C5=CC(=C(C=C5)O)OC)C)C)C(C)C |
Product Overview
beta-Sitosteryl ferulate (CAS 4952-28-7), with molecular formula C39H58O4 and molecular weight 590.43 g/mol. IUPAC: [(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-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] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate.
Chemical Property Profile of beta-Sitosteryl ferulate
Property Insights of beta-Sitosteryl ferulate
The XLogP value of 10.0033 indicates that beta-Sitosteryl ferulate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.76 Ų, beta-Sitosteryl ferulate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-Sitosteryl ferulate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of beta-Sitosteryl ferulate?
The CAS number of beta-Sitosteryl ferulate is 4952-28-7.
What is the molecular formula of beta-Sitosteryl ferulate?
The molecular formula of beta-Sitosteryl ferulate is C39H58O4.
What is the molecular weight of beta-Sitosteryl ferulate?
The molecular weight of beta-Sitosteryl ferulate is 590.43 g/mol.
Where can I buy beta-Sitosteryl ferulate?
You can request a quote for beta-Sitosteryl ferulate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Sitosteryl ferulate?
Yes, KEHONG BIO provides custom synthesis services for beta-Sitosteryl ferulate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.