20α-二氢孕烯醇酮硫酸盐
TL;DR: 20α-二氢孕烯醇酮硫酸盐 (CAS 27722-09-4) is a chemical compound with molecular formula C21H34O5S and molecular weight 398.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
20α-二氢孕烯醇酮硫酸盐
[(3S,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
Also Known As: 20alpha-Dihydroprognenolone-sulfate, KST-1A3404, 20-Hydroxypregn-5-en-3-yl hydrogen sulfate, (3, A,20s)-20-hydroxypregn-5-en-3-yl hydrogen sulfate
| Molecular Formula | C21H34O5S |
|---|---|
| Molecular Weight | 398.21 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 92.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 398.2127 |
| Heavy Atoms | 27 |
| Complexity | 725.0 |
Chemical Identifiers
| CAS Number | 27722-09-4 |
|---|---|
| SMILES | C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)O)C)C)O |
| InChIKey | QKOOLWUCVWTWAH-YZXCLFAISA-N |
Product Overview
20α-二氢孕烯醇酮硫酸盐 (CAS 27722-09-4), with molecular formula C21H34O5S and molecular weight 398.21 g/mol. IUPAC: [(3S,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate.
Chemical Property Profile of 20α-二氢孕烯醇酮硫酸盐
Property Insights of 20α-二氢孕烯醇酮硫酸盐
The XLogP value of 4.0 indicates that 20α-二氢孕烯醇酮硫酸盐 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 20α-二氢孕烯醇酮硫酸盐. Following Lipinski's Rule of Five, 20α-二氢孕烯醇酮硫酸盐 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 20α-二氢孕烯醇酮硫酸盐?
The CAS number of 20α-二氢孕烯醇酮硫酸盐 is 27722-09-4.
What is the molecular formula of 20α-二氢孕烯醇酮硫酸盐?
The molecular formula of 20α-二氢孕烯醇酮硫酸盐 is C21H34O5S.
What is the molecular weight of 20α-二氢孕烯醇酮硫酸盐?
The molecular weight of 20α-二氢孕烯醇酮硫酸盐 is 398.21 g/mol.
Where can I buy 20α-二氢孕烯醇酮硫酸盐?
You can request a quote for 20α-二氢孕烯醇酮硫酸盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 20α-二氢孕烯醇酮硫酸盐?
Yes, KEHONG BIO provides custom synthesis services for 20α-二氢孕烯醇酮硫酸盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.