4-Pregnen-17a, 20b-diol-3-one-20-sulfate
TL;DR: 4-Pregnen-17a, 20b-diol-3-one-20-sulfate (CAS 138949-80-1) 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.
1-(17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)ethyl hydrogen sulfate
Also Known As: 4-Pregnen-17a, 20b-diol-3-one-20-sulfate, 4-Pregnen-17 ,20 -diol-3-one-20-sulfate, 1-(17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)ethyl hydrogen sulfate
| Molecular Formula | C21H32O6S |
|---|---|
| Molecular Weight | 412.19 g/mol |
| LogP | 3.4573 |
| Topological Polar Surface Area | 100.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 412.19196 |
| Heavy Atoms | 28 |
| Complexity | 818.75244 |
Chemical Identifiers
| CAS Number | 138949-80-1 |
|---|---|
| SMILES | CC(C1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)O)OS(=O)(=O)O |
Product Overview
4-Pregnen-17a, 20b-diol-3-one-20-sulfate (CAS 138949-80-1), with molecular formula C21H32O6S and molecular weight 412.19 g/mol. IUPAC: 1-(17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)ethyl hydrogen sulfate.
Chemical Property Profile of 4-Pregnen-17a, 20b-diol-3-one-20-sulfate
Property Insights of 4-Pregnen-17a, 20b-diol-3-one-20-sulfate
The XLogP value of 3.4573 indicates that 4-Pregnen-17a, 20b-diol-3-one-20-sulfate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Pregnen-17a, 20b-diol-3-one-20-sulfate. Following Lipinski's Rule of Five, 4-Pregnen-17a, 20b-diol-3-one-20-sulfate 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 4-Pregnen-17a, 20b-diol-3-one-20-sulfate?
The CAS number of 4-Pregnen-17a, 20b-diol-3-one-20-sulfate is 138949-80-1.
What is the molecular formula of 4-Pregnen-17a, 20b-diol-3-one-20-sulfate?
The molecular formula of 4-Pregnen-17a, 20b-diol-3-one-20-sulfate is C21H32O6S.
What is the molecular weight of 4-Pregnen-17a, 20b-diol-3-one-20-sulfate?
The molecular weight of 4-Pregnen-17a, 20b-diol-3-one-20-sulfate is 412.19 g/mol.
Where can I buy 4-Pregnen-17a, 20b-diol-3-one-20-sulfate?
You can request a quote for 4-Pregnen-17a, 20b-diol-3-one-20-sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Pregnen-17a, 20b-diol-3-one-20-sulfate?
Yes, KEHONG BIO provides custom synthesis services for 4-Pregnen-17a, 20b-diol-3-one-20-sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.