alpha-Ergostenol acetate
TL;DR: alpha-Ergostenol acetate (CAS 4042-95-9) is a chemical compound with molecular formula C30H50O2 and molecular weight 442.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Also Known As: alpha-Ergostenol acetate, alpha-Ergostenol acetate [MI], Ergost-8(14)-en-3-yl acetate, 3beta-Acetoxyergost-8(14)-ene, 3.beta.-Acetoxyergost-8(14)-ene
| Molecular Formula | C30H50O2 |
|---|---|
| Molecular Weight | 442.38 g/mol |
| LogP | 8.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 442.38107 |
| Heavy Atoms | 32 |
| Complexity | 735.0 |
Chemical Identifiers
| CAS Number | 4042-95-9 |
|---|---|
| SMILES | CC(C)C(C)CCC(C)C1CCC2=C3CCC4CC(CCC4(C3CCC12C)C)OC(=O)C |
| InChIKey | LALAQRGFSWBMHR-UHFFFAOYSA-N |
Product Overview
alpha-Ergostenol acetate (CAS 4042-95-9), with molecular formula C30H50O2 and molecular weight 442.38 g/mol. IUPAC: [17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate.
Chemical Property Profile of alpha-Ergostenol acetate
Property Insights of alpha-Ergostenol acetate
The XLogP value of 8.8 indicates that alpha-Ergostenol 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, alpha-Ergostenol acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Ergostenol 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 alpha-Ergostenol acetate?
The CAS number of alpha-Ergostenol acetate is 4042-95-9.
What is the molecular formula of alpha-Ergostenol acetate?
The molecular formula of alpha-Ergostenol acetate is C30H50O2.
What is the molecular weight of alpha-Ergostenol acetate?
The molecular weight of alpha-Ergostenol acetate is 442.38 g/mol.
Where can I buy alpha-Ergostenol acetate?
You can request a quote for alpha-Ergostenol acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Ergostenol acetate?
Yes, KEHONG BIO provides custom synthesis services for alpha-Ergostenol acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.