3beta-Acetoxy-ergosta-5,7,22-triene
TL;DR: 3beta-Acetoxy-ergosta-5,7,22-triene (CAS 2418-45-3) is a chemical compound with molecular formula C30H46O2 and molecular weight 438.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,9S,10R,13R,14R,17R)-17-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Also Known As: Ergosterol, acetate, 3beta-acetoxy-ergosta-5,7,22-triene, Ergosta-5,7,22-trien-3-beta-yl acetate, J2.192.695G, (24R)-3beta-Acetoxy-24-methylcholesta-5,7,22-triene
| Molecular Formula | C30H46O2 |
|---|---|
| Molecular Weight | 438.35 g/mol |
| LogP | 8.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 438.3498 |
| Heavy Atoms | 32 |
| Complexity | 817.0 |
Chemical Identifiers
| CAS Number | 2418-45-3 |
|---|---|
| SMILES | C[C@H](C=C[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C |
| InChIKey | NGEVNHYPVVOXPB-QIWTXJQGSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3beta-Acetoxy-ergosta-5,7,22-triene (CAS 2418-45-3), with molecular formula C30H46O2 and molecular weight 438.35 g/mol. IUPAC: [(3S,9S,10R,13R,14R,17R)-17-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate.
Chemical Property Profile of 3beta-Acetoxy-ergosta-5,7,22-triene
Property Insights of 3beta-Acetoxy-ergosta-5,7,22-triene
The XLogP value of 8.0 indicates that 3beta-Acetoxy-ergosta-5,7,22-triene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3beta-Acetoxy-ergosta-5,7,22-triene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3beta-Acetoxy-ergosta-5,7,22-triene 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 3beta-Acetoxy-ergosta-5,7,22-triene?
The CAS number of 3beta-Acetoxy-ergosta-5,7,22-triene is 2418-45-3.
What is the molecular formula of 3beta-Acetoxy-ergosta-5,7,22-triene?
The molecular formula of 3beta-Acetoxy-ergosta-5,7,22-triene is C30H46O2.
What is the molecular weight of 3beta-Acetoxy-ergosta-5,7,22-triene?
The molecular weight of 3beta-Acetoxy-ergosta-5,7,22-triene is 438.35 g/mol.
Where can I buy 3beta-Acetoxy-ergosta-5,7,22-triene?
You can request a quote for 3beta-Acetoxy-ergosta-5,7,22-triene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3beta-Acetoxy-ergosta-5,7,22-triene?
Yes, KEHONG BIO provides custom synthesis services for 3beta-Acetoxy-ergosta-5,7,22-triene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.