21-羟基孕烯醇酮 21-硫酸盐
TL;DR: 21-羟基孕烯醇酮 21-硫酸盐 (CAS 88378-34-1) 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.
21-羟基孕烯醇酮 21-硫酸盐
[2-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] hydrogen sulfate
Also Known As: 21-Hydroxypregnenolone, 21-sulfate, 21-hydroxypregnenolone monosulfate, 3-Hydroxy-20-oxopregn-5-en-21-yl hydrogen sulfate, 3beta-Hydroxy-20-oxopregn-5-en-21-yl hydrogen sulfate, [2-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] hydrogen sulate
| Molecular Formula | C21H32O6S |
|---|---|
| Molecular Weight | 412.19 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 412.19196 |
| Heavy Atoms | 28 |
| Complexity | 783.0 |
Chemical Identifiers
| CAS Number | 88378-34-1 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)O)CC=C4[C@@]3(CC[C@@H](C4)O)C |
| InChIKey | YNTXPDSHGMGJJG-WPWXJNKXSA-N |
Product Overview
21-羟基孕烯醇酮 21-硫酸盐 (CAS 88378-34-1), with molecular formula C21H32O6S and molecular weight 412.19 g/mol. IUPAC: [2-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] hydrogen sulfate.
Chemical Property Profile of 21-羟基孕烯醇酮 21-硫酸盐
Property Insights of 21-羟基孕烯醇酮 21-硫酸盐
The XLogP value of 3.2 indicates that 21-羟基孕烯醇酮 21-硫酸盐 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 21-羟基孕烯醇酮 21-硫酸盐. Following Lipinski's Rule of Five, 21-羟基孕烯醇酮 21-硫酸盐 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 21-羟基孕烯醇酮 21-硫酸盐?
The CAS number of 21-羟基孕烯醇酮 21-硫酸盐 is 88378-34-1.
What is the molecular formula of 21-羟基孕烯醇酮 21-硫酸盐?
The molecular formula of 21-羟基孕烯醇酮 21-硫酸盐 is C21H32O6S.
What is the molecular weight of 21-羟基孕烯醇酮 21-硫酸盐?
The molecular weight of 21-羟基孕烯醇酮 21-硫酸盐 is 412.19 g/mol.
Where can I buy 21-羟基孕烯醇酮 21-硫酸盐?
You can request a quote for 21-羟基孕烯醇酮 21-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 21-羟基孕烯醇酮 21-硫酸盐?
Yes, KEHONG BIO provides custom synthesis services for 21-羟基孕烯醇酮 21-硫酸盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.