16beta-Methyl-16alpha,17alpha-epoxypregnenolone
TL;DR: 16beta-Methyl-16alpha,17alpha-epoxypregnenolone (CAS 1922-48-1) is a chemical compound with molecular formula C22H32O3 and molecular weight 344.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(1R,2S,4R,6S,7S,10S,11R,14S)-14-hydroxy-4,7,11-trimethyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-6-yl]ethanone
Also Known As: Ambiguanol, 16beta-Methyl-16alpha,17alpha-epoxypregnenolone, KST-1A2461, 16-alpha,17-alpha-Epoxy-3-beta-hydroxy-16-beta-methylpregn-5-en-20-one, (3
| Molecular Formula | C22H32O3 |
|---|---|
| Molecular Weight | 344.24 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 344.23514 |
| Heavy Atoms | 25 |
| Complexity | 683.0 |
Chemical Identifiers
| CAS Number | 1922-48-1 |
|---|---|
| SMILES | CC(=O)[C@]12[C@]3(CC[C@H]4[C@H]([C@@H]3C[C@]1(O2)C)CC=C5[C@@]4(CC[C@@H](C5)O)C)C |
| InChIKey | LMVLICSGVDWDSM-ZBJWQKIUSA-N |
Product Overview
16beta-Methyl-16alpha,17alpha-epoxypregnenolone (CAS 1922-48-1), with molecular formula C22H32O3 and molecular weight 344.24 g/mol. IUPAC: 1-[(1R,2S,4R,6S,7S,10S,11R,14S)-14-hydroxy-4,7,11-trimethyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-6-yl]ethanone.
Chemical Property Profile of 16beta-Methyl-16alpha,17alpha-epoxypregnenolone
Property Insights of 16beta-Methyl-16alpha,17alpha-epoxypregnenolone
The XLogP value of 3.1 indicates that 16beta-Methyl-16alpha,17alpha-epoxypregnenolone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, 16beta-Methyl-16alpha,17alpha-epoxypregnenolone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 16beta-Methyl-16alpha,17alpha-epoxypregnenolone has 1 hydrogen bond donor(s) and 3 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 16beta-Methyl-16alpha,17alpha-epoxypregnenolone?
The CAS number of 16beta-Methyl-16alpha,17alpha-epoxypregnenolone is 1922-48-1.
What is the molecular formula of 16beta-Methyl-16alpha,17alpha-epoxypregnenolone?
The molecular formula of 16beta-Methyl-16alpha,17alpha-epoxypregnenolone is C22H32O3.
What is the molecular weight of 16beta-Methyl-16alpha,17alpha-epoxypregnenolone?
The molecular weight of 16beta-Methyl-16alpha,17alpha-epoxypregnenolone is 344.24 g/mol.
Where can I buy 16beta-Methyl-16alpha,17alpha-epoxypregnenolone?
You can request a quote for 16beta-Methyl-16alpha,17alpha-epoxypregnenolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 16beta-Methyl-16alpha,17alpha-epoxypregnenolone?
Yes, KEHONG BIO provides custom synthesis services for 16beta-Methyl-16alpha,17alpha-epoxypregnenolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.