Clionasterol acetate
TL;DR: Clionasterol acetate (CAS 4651-54-1) 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.
[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-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: Clionasterol acetate, Clionasteryl acetate, gamma-Sitosterol acetate, CLIONASTERYL-ACETATE, gamma-Sitosterol acetate [MI]
| 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 | 4651-54-1 |
|---|---|
| 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)C)C(C)C |
| InChIKey | PBWOIPCULUXTNY-UMKHIFOFSA-N |
Product Overview
Clionasterol acetate (CAS 4651-54-1), with molecular formula C31H52O2 and molecular weight 456.40 g/mol. IUPAC: [(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-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 Clionasterol acetate
Property Insights of Clionasterol acetate
The XLogP value of 9.9 indicates that Clionasterol 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, Clionasterol acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Clionasterol 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 Clionasterol acetate?
The CAS number of Clionasterol acetate is 4651-54-1.
What is the molecular formula of Clionasterol acetate?
The molecular formula of Clionasterol acetate is C31H52O2.
What is the molecular weight of Clionasterol acetate?
The molecular weight of Clionasterol acetate is 456.40 g/mol.
Where can I buy Clionasterol acetate?
You can request a quote for Clionasterol acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Clionasterol acetate?
Yes, KEHONG BIO provides custom synthesis services for Clionasterol acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.