Spinasteryl acetate
TL;DR: Spinasteryl acetate (CAS 4651-46-1) is a chemical compound with molecular formula C31H50O2 and molecular weight 454.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[17-(5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Also Known As: Spinasteryl acetate, alpha-Spinasterol acetate, ?-Spinasterol acetate, 4CN-1534, [(3S,5S,9R,10S,13R,14R,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
| Molecular Formula | C31H50O2 |
|---|---|
| Molecular Weight | 454.38 g/mol |
| LogP | 8.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 454.38107 |
| Heavy Atoms | 33 |
| Complexity | 778.0 |
Chemical Identifiers
| CAS Number | 4651-46-1 |
|---|---|
| SMILES | CCC(C=CC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)OC(=O)C)C)C)C(C)C |
| InChIKey | VQLULFBGTFJDEB-UHFFFAOYSA-N |
Product Overview
Spinasteryl acetate (CAS 4651-46-1), with molecular formula C31H50O2 and molecular weight 454.38 g/mol. IUPAC: [17-(5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate.
Chemical Property Profile of Spinasteryl acetate
Property Insights of Spinasteryl acetate
The XLogP value of 8.9 indicates that Spinasteryl 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, Spinasteryl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Spinasteryl 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 Spinasteryl acetate?
The CAS number of Spinasteryl acetate is 4651-46-1.
What is the molecular formula of Spinasteryl acetate?
The molecular formula of Spinasteryl acetate is C31H50O2.
What is the molecular weight of Spinasteryl acetate?
The molecular weight of Spinasteryl acetate is 454.38 g/mol.
Where can I buy Spinasteryl acetate?
You can request a quote for Spinasteryl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spinasteryl acetate?
Yes, KEHONG BIO provides custom synthesis services for Spinasteryl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.