Pregn-5-en-20-one, 3,17-dihydroxy-, mono(hydrogen sulfate), (3beta)-
TL;DR: Pregn-5-en-20-one, 3,17-dihydroxy-, mono(hydrogen sulfate), (3beta)- (CAS 2477-77-2) is a chemical compound with molecular formula C21H32O6S and molecular weight 412.19 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-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate
Also Known As: 17-Hydroxypregnenolone sulfate, 17alpha-Hydroxypregnenolone sulfate, 17-hydroxypregnenolonesulfate, 17-hydroxypregnenolone sulphate, 17-Hydroxy-pregnenolone sulfate
| Molecular Formula | C21H32O6S |
|---|---|
| Molecular Weight | 412.19 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 412.19196 |
| Heavy Atoms | 28 |
| Complexity | 813.0 |
Chemical Identifiers
| CAS Number | 2477-77-2 |
|---|---|
| SMILES | CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(C4)OS(=O)(=O)O)C)C)O |
| InChIKey | OMOKWYAQVYBHMG-QUPIPBJSSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pregn-5-en-20-one, 3,17-dihydroxy-, mono(hydrogen sulfate), (3beta)- (CAS 2477-77-2), with molecular formula C21H32O6S and molecular weight 412.19 g/mol. IUPAC: [(8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate.
Chemical Property Profile of Pregn-5-en-20-one, 3,17-dihydroxy-, mono(hydrogen sulfate), (3beta)-
Property Insights of Pregn-5-en-20-one, 3,17-dihydroxy-, mono(hydrogen sulfate), (3beta)-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pregn-5-en-20-one, 3,17-dihydroxy-, mono(hydrogen sulfate), (3beta)-. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pregn-5-en-20-one, 3,17-dihydroxy-, mono(hydrogen sulfate), (3beta)-. Following Lipinski's Rule of Five, Pregn-5-en-20-one, 3,17-dihydroxy-, mono(hydrogen sulfate), (3beta)- has 2 hydrogen bond donor(s) and 6 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-5-en-20-one, 3,17-dihydroxy-, mono(hydrogen sulfate), (3beta)-?
The CAS number of Pregn-5-en-20-one, 3,17-dihydroxy-, mono(hydrogen sulfate), (3beta)- is 2477-77-2.
What is the molecular formula of Pregn-5-en-20-one, 3,17-dihydroxy-, mono(hydrogen sulfate), (3beta)-?
The molecular formula of Pregn-5-en-20-one, 3,17-dihydroxy-, mono(hydrogen sulfate), (3beta)- is C21H32O6S.
What is the molecular weight of Pregn-5-en-20-one, 3,17-dihydroxy-, mono(hydrogen sulfate), (3beta)-?
The molecular weight of Pregn-5-en-20-one, 3,17-dihydroxy-, mono(hydrogen sulfate), (3beta)- is 412.19 g/mol.
Where can I buy Pregn-5-en-20-one, 3,17-dihydroxy-, mono(hydrogen sulfate), (3beta)-?
You can request a quote for Pregn-5-en-20-one, 3,17-dihydroxy-, mono(hydrogen sulfate), (3beta)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pregn-5-en-20-one, 3,17-dihydroxy-, mono(hydrogen sulfate), (3beta)-?
Yes, KEHONG BIO provides custom synthesis services for Pregn-5-en-20-one, 3,17-dihydroxy-, mono(hydrogen sulfate), (3beta)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.