17 Alpha-hydroperoxypregnenolone
TL;DR: 17 Alpha-hydroperoxypregnenolone (CAS 38713-56-3) is a chemical compound with molecular formula C21H32O4 and molecular weight 348.23 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,17R)-17-hydroperoxy-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone
Also Known As: Pregnenolone 17alpha-hydroperoxide, 17 alpha-hydroperoxypregnenolone, 17alpha-Hydroperoxypregnenolone, KST-1A4445, (3beta)-17-Hydroperoxy-3-hydroxypregn-5-en-20-one
| Molecular Formula | C21H32O4 |
|---|---|
| Molecular Weight | 348.23 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 348.23007 |
| Heavy Atoms | 25 |
| Complexity | 613.0 |
Chemical Identifiers
| CAS Number | 38713-56-3 |
|---|---|
| SMILES | CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)OO |
| InChIKey | QORSAKNHFYZSLZ-TVWVXWENSA-N |
Product Overview
17 Alpha-hydroperoxypregnenolone (CAS 38713-56-3), with molecular formula C21H32O4 and molecular weight 348.23 g/mol. IUPAC: 1-[(3S,8R,9S,10R,13S,14S,17R)-17-hydroperoxy-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone.
Chemical Property Profile of 17 Alpha-hydroperoxypregnenolone
Property Insights of 17 Alpha-hydroperoxypregnenolone
The XLogP value of 3.1 indicates that 17 Alpha-hydroperoxypregnenolone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 17 Alpha-hydroperoxypregnenolone. Following Lipinski's Rule of Five, 17 Alpha-hydroperoxypregnenolone has 2 hydrogen bond donor(s) and 4 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 17 Alpha-hydroperoxypregnenolone?
The CAS number of 17 Alpha-hydroperoxypregnenolone is 38713-56-3.
What is the molecular formula of 17 Alpha-hydroperoxypregnenolone?
The molecular formula of 17 Alpha-hydroperoxypregnenolone is C21H32O4.
What is the molecular weight of 17 Alpha-hydroperoxypregnenolone?
The molecular weight of 17 Alpha-hydroperoxypregnenolone is 348.23 g/mol.
Where can I buy 17 Alpha-hydroperoxypregnenolone?
You can request a quote for 17 Alpha-hydroperoxypregnenolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17 Alpha-hydroperoxypregnenolone?
Yes, KEHONG BIO provides custom synthesis services for 17 Alpha-hydroperoxypregnenolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.