Psi-taraxasterol acetate
TL;DR: Psi-taraxasterol acetate (CAS 5434-93-5) is a chemical compound with molecular formula C32H52O2 and molecular weight 468.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,6aR,6aR,6bR,8aS,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,6a,7,8,9,12,12a,13,14,14a-tetradecahydro-1H-picen-3-yl] acetate
Also Known As: Psi-taraxasterol acetate, psi-taraxasterylacetate, Urs-20-en-3-ol acetate, KST-1A5731, KST-1A5732
| Molecular Formula | C32H52O2 |
|---|---|
| Molecular Weight | 468.40 g/mol |
| LogP | 9.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 468.39673 |
| Heavy Atoms | 34 |
| Complexity | 885.0 |
Chemical Identifiers
| CAS Number | 5434-93-5 |
|---|---|
| SMILES | C[C@H]1[C@@H]2[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C(C5CC[C@]4([C@@]3(CC[C@]2(CC=C1C)C)C)C)(C)C)OC(=O)C)C |
| InChIKey | DYTVUYVLJDSMFA-SFCKFDFDSA-N |
Product Overview
Psi-taraxasterol acetate (CAS 5434-93-5), with molecular formula C32H52O2 and molecular weight 468.40 g/mol. IUPAC: [(3S,6aR,6aR,6bR,8aS,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,6a,7,8,9,12,12a,13,14,14a-tetradecahydro-1H-picen-3-yl] acetate.
Chemical Property Profile of Psi-taraxasterol acetate
Property Insights of Psi-taraxasterol acetate
The XLogP value of 9.5 indicates that Psi-taraxasterol 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, Psi-taraxasterol acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Psi-taraxasterol 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 Psi-taraxasterol acetate?
The CAS number of Psi-taraxasterol acetate is 5434-93-5.
What is the molecular formula of Psi-taraxasterol acetate?
The molecular formula of Psi-taraxasterol acetate is C32H52O2.
What is the molecular weight of Psi-taraxasterol acetate?
The molecular weight of Psi-taraxasterol acetate is 468.40 g/mol.
Where can I buy Psi-taraxasterol acetate?
You can request a quote for Psi-taraxasterol acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Psi-taraxasterol acetate?
Yes, KEHONG BIO provides custom synthesis services for Psi-taraxasterol acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.