Pregn-4-ene-3,20-dione, 17-hydroxy-21-((2-hydroxyethyl)thio)-
TL;DR: Pregn-4-ene-3,20-dione, 17-hydroxy-21-((2-hydroxyethyl)thio)- (CAS 114967-92-9) is a chemical compound with molecular formula C23H34O4S and molecular weight 406.22 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-hydroxy-17-[2-(2-hydroxyethylsulfanyl)acetyl]-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Also Known As: 17-Hydroxy-21-((2-hydroxyethyl)thio)pregn-4-ene-3,20-dione, 2-(17-alpha-Hydroxy-4-pregnene-3,20-dion-21-yl-21-thio)ethanol, Pregn-4-ene-3,20-dione, 17-hydroxy-21-((2-hydroxyethyl)thio)-, 17-Hydroxy-21-[(2-hydroxyethyl)sulfanyl]pregn-4-ene-3,20-dione, (8R,9S,10R,13S,14S,17R)-17-hydroxy-17-[2-(2-hydroxyethylsulfanyl)acetyl]-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
| Molecular Formula | C23H34O4S |
|---|---|
| Molecular Weight | 406.22 g/mol |
| LogP | 3.544 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 406.21777 |
| Heavy Atoms | 28 |
| Complexity | 702.7159 |
Chemical Identifiers
| CAS Number | 114967-92-9 |
|---|---|
| SMILES | C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4(C(=O)CSCCO)O)C |
Product Overview
Pregn-4-ene-3,20-dione, 17-hydroxy-21-((2-hydroxyethyl)thio)- (CAS 114967-92-9), with molecular formula C23H34O4S and molecular weight 406.22 g/mol. IUPAC: (8R,9S,10R,13S,14S,17R)-17-hydroxy-17-[2-(2-hydroxyethylsulfanyl)acetyl]-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one.
Chemical Property Profile of Pregn-4-ene-3,20-dione, 17-hydroxy-21-((2-hydroxyethyl)thio)-
Property Insights of Pregn-4-ene-3,20-dione, 17-hydroxy-21-((2-hydroxyethyl)thio)-
The XLogP value of 3.544 indicates that Pregn-4-ene-3,20-dione, 17-hydroxy-21-((2-hydroxyethyl)thio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Pregn-4-ene-3,20-dione, 17-hydroxy-21-((2-hydroxyethyl)thio)-. Following Lipinski's Rule of Five, Pregn-4-ene-3,20-dione, 17-hydroxy-21-((2-hydroxyethyl)thio)- has 2 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 Pregn-4-ene-3,20-dione, 17-hydroxy-21-((2-hydroxyethyl)thio)-?
The CAS number of Pregn-4-ene-3,20-dione, 17-hydroxy-21-((2-hydroxyethyl)thio)- is 114967-92-9.
What is the molecular formula of Pregn-4-ene-3,20-dione, 17-hydroxy-21-((2-hydroxyethyl)thio)-?
The molecular formula of Pregn-4-ene-3,20-dione, 17-hydroxy-21-((2-hydroxyethyl)thio)- is C23H34O4S.
What is the molecular weight of Pregn-4-ene-3,20-dione, 17-hydroxy-21-((2-hydroxyethyl)thio)-?
The molecular weight of Pregn-4-ene-3,20-dione, 17-hydroxy-21-((2-hydroxyethyl)thio)- is 406.22 g/mol.
Where can I buy Pregn-4-ene-3,20-dione, 17-hydroxy-21-((2-hydroxyethyl)thio)-?
You can request a quote for Pregn-4-ene-3,20-dione, 17-hydroxy-21-((2-hydroxyethyl)thio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pregn-4-ene-3,20-dione, 17-hydroxy-21-((2-hydroxyethyl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for Pregn-4-ene-3,20-dione, 17-hydroxy-21-((2-hydroxyethyl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.