Pregnenolone methyl ether
TL;DR: Pregnenolone methyl ether (CAS 54571-17-4) is a chemical compound with molecular formula C22H34O2 and molecular weight 330.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3S,8S,9S,10R,13S,14S,17S)-3-methoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
Also Known As: Pregnenolone methyl ether, Pregnenolone 3-methyl ether, 3ss-MethoxyPREG, 3-methoxy-pregnenolone, 3beta-Methoxypregnenolone
| Molecular Formula | C22H34O2 |
|---|---|
| Molecular Weight | 330.26 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 330.2559 |
| Heavy Atoms | 24 |
| Complexity | 564.0 |
Chemical Identifiers
| CAS Number | 54571-17-4 |
|---|---|
| SMILES | CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC)C)C |
| InChIKey | ZVGQOQHAMHMMNE-BIBIXIOVSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pregnenolone methyl ether (CAS 54571-17-4), with molecular formula C22H34O2 and molecular weight 330.26 g/mol. IUPAC: 1-[(3S,8S,9S,10R,13S,14S,17S)-3-methoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone.
Chemical Property Profile of Pregnenolone methyl ether
Property Insights of Pregnenolone methyl ether
The XLogP value of 4.8 indicates that Pregnenolone methyl ether is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Pregnenolone methyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pregnenolone methyl ether has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pregnenolone methyl ether?
The CAS number of Pregnenolone methyl ether is 54571-17-4.
What is the molecular formula of Pregnenolone methyl ether?
The molecular formula of Pregnenolone methyl ether is C22H34O2.
What is the molecular weight of Pregnenolone methyl ether?
The molecular weight of Pregnenolone methyl ether is 330.26 g/mol.
Where can I buy Pregnenolone methyl ether?
You can request a quote for Pregnenolone methyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pregnenolone methyl ether?
Yes, KEHONG BIO provides custom synthesis services for Pregnenolone methyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.