3beta-Hydroxy-16-methylpregna-5,16-dien-20-one
TL;DR: 3beta-Hydroxy-16-methylpregna-5,16-dien-20-one (CAS 1808-63-5) is a chemical compound with molecular formula C22H32O2 and molecular weight 328.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3S,8R,9S,10R,13S,14S)-3-hydroxy-10,13,16-trimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
Also Known As: 16-methyl-16-Pregnenolone, 3beta-Hydroxy-16-methylpregna-5,16-dien-20-one, 16-METHYL-16-DEHYDROPREGNENOLONE, 3-Hydroxy-16-methylpregna-5,16-dien-20-one, 5,16-Pregnadien-16-methyl-3beta-ol-20-one
| Molecular Formula | C22H32O2 |
|---|---|
| Molecular Weight | 328.24 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 328.24023 |
| Heavy Atoms | 24 |
| Complexity | 642.0 |
Chemical Identifiers
| CAS Number | 1808-63-5 |
|---|---|
| SMILES | CC1=C([C@]2(CC[C@H]3[C@H]([C@@H]2C1)CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C(=O)C |
| InChIKey | WYOKDIKHIXWWOC-LXIBVNSESA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3beta-Hydroxy-16-methylpregna-5,16-dien-20-one (CAS 1808-63-5), with molecular formula C22H32O2 and molecular weight 328.24 g/mol. IUPAC: 1-[(3S,8R,9S,10R,13S,14S)-3-hydroxy-10,13,16-trimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone.
Chemical Property Profile of 3beta-Hydroxy-16-methylpregna-5,16-dien-20-one
Property Insights of 3beta-Hydroxy-16-methylpregna-5,16-dien-20-one
The XLogP value of 3.8 indicates that 3beta-Hydroxy-16-methylpregna-5,16-dien-20-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3beta-Hydroxy-16-methylpregna-5,16-dien-20-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3beta-Hydroxy-16-methylpregna-5,16-dien-20-one 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 3beta-Hydroxy-16-methylpregna-5,16-dien-20-one?
The CAS number of 3beta-Hydroxy-16-methylpregna-5,16-dien-20-one is 1808-63-5.
What is the molecular formula of 3beta-Hydroxy-16-methylpregna-5,16-dien-20-one?
The molecular formula of 3beta-Hydroxy-16-methylpregna-5,16-dien-20-one is C22H32O2.
What is the molecular weight of 3beta-Hydroxy-16-methylpregna-5,16-dien-20-one?
The molecular weight of 3beta-Hydroxy-16-methylpregna-5,16-dien-20-one is 328.24 g/mol.
Where can I buy 3beta-Hydroxy-16-methylpregna-5,16-dien-20-one?
You can request a quote for 3beta-Hydroxy-16-methylpregna-5,16-dien-20-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3beta-Hydroxy-16-methylpregna-5,16-dien-20-one?
Yes, KEHONG BIO provides custom synthesis services for 3beta-Hydroxy-16-methylpregna-5,16-dien-20-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.