5-alpha-Pregnane-11,20-dione, 3-alpha-hydroxy-16-alpha-methyl-2-beta-morpholino-
TL;DR: 5-alpha-Pregnane-11,20-dione, 3-alpha-hydroxy-16-alpha-methyl-2-beta-morpholino- (CAS 52-91-5) is a chemical compound with molecular formula C26H41NO4 and molecular weight 431.30 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,16R,17S)-17-acetyl-3-hydroxy-10,13,16-trimethyl-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: 3-alpha-Hydroxy-16-alpha-methyl-2-beta-morpholino-5-alpha-pregnane-11,20-dione, 5-alpha-Pregnane-11,20-dione, 3-alpha-hydroxy-16-alpha-methyl-2-beta-morpholino-, 3-Hydroxy-16-methyl-2-(morpholin-4-yl)pregnane-11,20-dione, 3alpha-Hydroxy-16alpha-methyl-2beta-(morpholin-4-yl)-5alpha-pregnane-11,20-dione, (2S,3S,5S,8S,9S,10S,13S,14S,16R,17S)-17-acetyl-3-hydroxy-10,13,16-trimethyl-2-morpholin-4-yl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one
| Molecular Formula | C26H41NO4 |
|---|---|
| Molecular Weight | 431.30 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 431.30356 |
| Heavy Atoms | 31 |
| Complexity | 748.0 |
Chemical Identifiers
| CAS Number | 52-91-5 |
|---|---|
| SMILES | C[C@@H]1C[C@H]2[C@@H]3CC[C@H]4C[C@@H]([C@H](C[C@@]4([C@H]3C(=O)C[C@@]2([C@H]1C(=O)C)C)C)N5CCOCC5)O |
| InChIKey | DSPCGJPMFCPSRR-YFZIMBFFSA-N |
Product Overview
5-alpha-Pregnane-11,20-dione, 3-alpha-hydroxy-16-alpha-methyl-2-beta-morpholino- (CAS 52-91-5), with molecular formula C26H41NO4 and molecular weight 431.30 g/mol. IUPAC: (2S,3S,5S,8S,9S,10S,13S,14S,16R,17S)-17-acetyl-3-hydroxy-10,13,16-trimethyl-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 5-alpha-Pregnane-11,20-dione, 3-alpha-hydroxy-16-alpha-methyl-2-beta-morpholino-
Property Insights of 5-alpha-Pregnane-11,20-dione, 3-alpha-hydroxy-16-alpha-methyl-2-beta-morpholino-
The XLogP value of 3.0 indicates that 5-alpha-Pregnane-11,20-dione, 3-alpha-hydroxy-16-alpha-methyl-2-beta-morpholino- 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 5-alpha-Pregnane-11,20-dione, 3-alpha-hydroxy-16-alpha-methyl-2-beta-morpholino-. Following Lipinski's Rule of Five, 5-alpha-Pregnane-11,20-dione, 3-alpha-hydroxy-16-alpha-methyl-2-beta-morpholino- 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 5-alpha-Pregnane-11,20-dione, 3-alpha-hydroxy-16-alpha-methyl-2-beta-morpholino-?
The CAS number of 5-alpha-Pregnane-11,20-dione, 3-alpha-hydroxy-16-alpha-methyl-2-beta-morpholino- is 52-91-5.
What is the molecular formula of 5-alpha-Pregnane-11,20-dione, 3-alpha-hydroxy-16-alpha-methyl-2-beta-morpholino-?
The molecular formula of 5-alpha-Pregnane-11,20-dione, 3-alpha-hydroxy-16-alpha-methyl-2-beta-morpholino- is C26H41NO4.
What is the molecular weight of 5-alpha-Pregnane-11,20-dione, 3-alpha-hydroxy-16-alpha-methyl-2-beta-morpholino-?
The molecular weight of 5-alpha-Pregnane-11,20-dione, 3-alpha-hydroxy-16-alpha-methyl-2-beta-morpholino- is 431.30 g/mol.
Where can I buy 5-alpha-Pregnane-11,20-dione, 3-alpha-hydroxy-16-alpha-methyl-2-beta-morpholino-?
You can request a quote for 5-alpha-Pregnane-11,20-dione, 3-alpha-hydroxy-16-alpha-methyl-2-beta-morpholino- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-alpha-Pregnane-11,20-dione, 3-alpha-hydroxy-16-alpha-methyl-2-beta-morpholino-?
Yes, KEHONG BIO provides custom synthesis services for 5-alpha-Pregnane-11,20-dione, 3-alpha-hydroxy-16-alpha-methyl-2-beta-morpholino- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.