3-Hydroxypregn-16-en-20-one
TL;DR: 3-Hydroxypregn-16-en-20-one (CAS 566-61-0) is a chemical compound with molecular formula C21H32O2 and molecular weight 316.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone
Also Known As: 16-Pregnenolone, Allopregnenolone, 16-Pregnolone, 16-Allopregnene-3-ol-20-one, 3-Hydroxypregn-16-en-20-one
| Molecular Formula | C21H32O2 |
|---|---|
| Molecular Weight | 316.24 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 | 316.24023 |
| Heavy Atoms | 23 |
| Complexity | 550.0 |
Chemical Identifiers
| CAS Number | 566-61-0 |
|---|---|
| SMILES | CC(=O)C1=CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C |
| InChIKey | SFXPZLCQRZASKK-UHFFFAOYSA-N |
Product Overview
3-Hydroxypregn-16-en-20-one (CAS 566-61-0), with molecular formula C21H32O2 and molecular weight 316.24 g/mol. IUPAC: 1-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone.
Chemical Property Profile of 3-Hydroxypregn-16-en-20-one
Property Insights of 3-Hydroxypregn-16-en-20-one
The XLogP value of 4.7 indicates that 3-Hydroxypregn-16-en-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, 3-Hydroxypregn-16-en-20-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxypregn-16-en-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 3-Hydroxypregn-16-en-20-one?
The CAS number of 3-Hydroxypregn-16-en-20-one is 566-61-0.
What is the molecular formula of 3-Hydroxypregn-16-en-20-one?
The molecular formula of 3-Hydroxypregn-16-en-20-one is C21H32O2.
What is the molecular weight of 3-Hydroxypregn-16-en-20-one?
The molecular weight of 3-Hydroxypregn-16-en-20-one is 316.24 g/mol.
Where can I buy 3-Hydroxypregn-16-en-20-one?
You can request a quote for 3-Hydroxypregn-16-en-20-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxypregn-16-en-20-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxypregn-16-en-20-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.