16alpha-Methylpregnenolone
TL;DR: 16alpha-Methylpregnenolone (CAS 16394-71-1) 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-(3-hydroxy-10,13,16-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone
Also Known As: 16alpha-Methylpregnenolone, NCIOpen2_008353, 16-alpha-METHYLPREGNENOLONE, 3-Oxo-4-(1,3,3-trimethyl-1,3-dihydro-indol-2-ylidene)-butyronitrile, 1-(3-hydroxy-10,13,16-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone
| Molecular Formula | C22H34O2 |
|---|---|
| Molecular Weight | 330.26 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 330.2559 |
| Heavy Atoms | 24 |
| Complexity | 579.0 |
Chemical Identifiers
| CAS Number | 16394-71-1 |
|---|---|
| SMILES | CC1CC2C3CC=C4CC(CCC4(C3CCC2(C1C(=O)C)C)C)O |
| InChIKey | XXSFRYVGIQYVIQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
16alpha-Methylpregnenolone (CAS 16394-71-1), with molecular formula C22H34O2 and molecular weight 330.26 g/mol. IUPAC: 1-(3-hydroxy-10,13,16-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone.
Chemical Property Profile of 16alpha-Methylpregnenolone
Property Insights of 16alpha-Methylpregnenolone
The XLogP value of 4.7 indicates that 16alpha-Methylpregnenolone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 16alpha-Methylpregnenolone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 16alpha-Methylpregnenolone has 1 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 16alpha-Methylpregnenolone?
The CAS number of 16alpha-Methylpregnenolone is 16394-71-1.
What is the molecular formula of 16alpha-Methylpregnenolone?
The molecular formula of 16alpha-Methylpregnenolone is C22H34O2.
What is the molecular weight of 16alpha-Methylpregnenolone?
The molecular weight of 16alpha-Methylpregnenolone is 330.26 g/mol.
Where can I buy 16alpha-Methylpregnenolone?
You can request a quote for 16alpha-Methylpregnenolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 16alpha-Methylpregnenolone?
Yes, KEHONG BIO provides custom synthesis services for 16alpha-Methylpregnenolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.