3-Hydroxy-2-(morpholin-4-yl)pregnane-11,20-dione
TL;DR: 3-Hydroxy-2-(morpholin-4-yl)pregnane-11,20-dione (CAS 52-92-6) is a chemical compound with molecular formula C25H39NO4 and molecular weight 417.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,5S,8S,9S,10S,13S,14S,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-2-morpholin-4-yl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one
Also Known As: KST-1A5570, 3-Hydroxy-2-(morpholin-4-yl)pregnane-11,20-dione, 3-alpha-Hydroxy-2-beta-morpholino-5-alpha-pregnane-11,20-dione, (2, A,3
| Molecular Formula | C25H39NO4 |
|---|---|
| Molecular Weight | 417.29 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 417.2879 |
| Heavy Atoms | 30 |
| Complexity | 718.0 |
Chemical Identifiers
| CAS Number | 52-92-6 |
|---|---|
| SMILES | CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@@H]([C@H](C4)O)N5CCOCC5)C)C |
| InChIKey | CLFACXVXWDTNGB-MNDQBHQFSA-N |
Product Overview
3-Hydroxy-2-(morpholin-4-yl)pregnane-11,20-dione (CAS 52-92-6), with molecular formula C25H39NO4 and molecular weight 417.29 g/mol. IUPAC: (2S,3S,5S,8S,9S,10S,13S,14S,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-2-morpholin-4-yl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one.
Chemical Property Profile of 3-Hydroxy-2-(morpholin-4-yl)pregnane-11,20-dione
Property Insights of 3-Hydroxy-2-(morpholin-4-yl)pregnane-11,20-dione
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxy-2-(morpholin-4-yl)pregnane-11,20-dione. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Hydroxy-2-(morpholin-4-yl)pregnane-11,20-dione. Following Lipinski's Rule of Five, 3-Hydroxy-2-(morpholin-4-yl)pregnane-11,20-dione has 1 hydrogen bond donor(s) and 5 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-Hydroxy-2-(morpholin-4-yl)pregnane-11,20-dione?
The CAS number of 3-Hydroxy-2-(morpholin-4-yl)pregnane-11,20-dione is 52-92-6.
What is the molecular formula of 3-Hydroxy-2-(morpholin-4-yl)pregnane-11,20-dione?
The molecular formula of 3-Hydroxy-2-(morpholin-4-yl)pregnane-11,20-dione is C25H39NO4.
What is the molecular weight of 3-Hydroxy-2-(morpholin-4-yl)pregnane-11,20-dione?
The molecular weight of 3-Hydroxy-2-(morpholin-4-yl)pregnane-11,20-dione is 417.29 g/mol.
Where can I buy 3-Hydroxy-2-(morpholin-4-yl)pregnane-11,20-dione?
You can request a quote for 3-Hydroxy-2-(morpholin-4-yl)pregnane-11,20-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-2-(morpholin-4-yl)pregnane-11,20-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-2-(morpholin-4-yl)pregnane-11,20-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.