17alpha-Hydroperoxyprogesterone
TL;DR: 17alpha-Hydroperoxyprogesterone (CAS 28990-01-4) is a chemical compound with molecular formula C21H30O4 and molecular weight 346.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroperoxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Also Known As: 17alpha-Hydroperoxyprogesterone, Progesterone 17alpha-hydroperoxide, 17-Hydroperoxypregn-4-ene-3,20-dione, 17a-hydroperoxypregn-4-ene-3,20-dione, Pregn-4-ene-3,20-dione, 17-hydroperoxy-
| Molecular Formula | C21H30O4 |
|---|---|
| Molecular Weight | 346.21 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 346.21442 |
| Heavy Atoms | 25 |
| Complexity | 652.0 |
Chemical Identifiers
| CAS Number | 28990-01-4 |
|---|---|
| SMILES | CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)OO |
| InChIKey | WEHDHEBJGVDJTK-CEGNMAFCSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
17alpha-Hydroperoxyprogesterone (CAS 28990-01-4), with molecular formula C21H30O4 and molecular weight 346.21 g/mol. IUPAC: (8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroperoxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 17alpha-Hydroperoxyprogesterone
Property Insights of 17alpha-Hydroperoxyprogesterone
The XLogP value of 3.2 indicates that 17alpha-Hydroperoxyprogesterone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 17alpha-Hydroperoxyprogesterone. Following Lipinski's Rule of Five, 17alpha-Hydroperoxyprogesterone has 1 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 17alpha-Hydroperoxyprogesterone?
The CAS number of 17alpha-Hydroperoxyprogesterone is 28990-01-4.
What is the molecular formula of 17alpha-Hydroperoxyprogesterone?
The molecular formula of 17alpha-Hydroperoxyprogesterone is C21H30O4.
What is the molecular weight of 17alpha-Hydroperoxyprogesterone?
The molecular weight of 17alpha-Hydroperoxyprogesterone is 346.21 g/mol.
Where can I buy 17alpha-Hydroperoxyprogesterone?
You can request a quote for 17alpha-Hydroperoxyprogesterone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17alpha-Hydroperoxyprogesterone?
Yes, KEHONG BIO provides custom synthesis services for 17alpha-Hydroperoxyprogesterone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.