5β-孕烷-3α,20α-二醇20-硫酸酯
TL;DR: 5β-孕烷-3α,20α-二醇20-硫酸酯 (CAS 49756-86-7) is a chemical compound with molecular formula C21H36O5S and molecular weight 400.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5β-孕烷-3α,20α-二醇20-硫酸酯
1-[(3R,5R,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl hydrogen sulfate
Also Known As: 5beta-Pregnane-3alpha,20alpha-diol 20-sulfate, 3-Hydroxypregnan-20-yl hydrogen sulfate, 3alpha-Hydroxy-5beta-pregnan-20-yl hydrogen sulfate, Pregnane-3,20-diol, 20-(hydrogen sulfate), (3alpha,5beta,20S)-, (3R,5R,8R,9S,10S,13R,14S,17S)-3-Hydroxy-10,13-dimethyl-17-(1-sulfooxyethyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta(a)phenanthrene
| Molecular Formula | C21H36O5S |
|---|---|
| Molecular Weight | 400.23 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 92.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 400.22833 |
| Heavy Atoms | 27 |
| Complexity | 673.0 |
Chemical Identifiers
| CAS Number | 49756-86-7 |
|---|---|
| SMILES | CC([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C)OS(=O)(=O)O |
| InChIKey | NOGKXXMAHGCQBS-WDDCBOSHSA-N |
Product Overview
5β-孕烷-3α,20α-二醇20-硫酸酯 (CAS 49756-86-7), with molecular formula C21H36O5S and molecular weight 400.23 g/mol. IUPAC: 1-[(3R,5R,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl hydrogen sulfate.
Chemical Property Profile of 5β-孕烷-3α,20α-二醇20-硫酸酯
Property Insights of 5β-孕烷-3α,20α-二醇20-硫酸酯
The XLogP value of 4.8 indicates that 5β-孕烷-3α,20α-二醇20-硫酸酯 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 5β-孕烷-3α,20α-二醇20-硫酸酯. Following Lipinski's Rule of Five, 5β-孕烷-3α,20α-二醇20-硫酸酯 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 5β-孕烷-3α,20α-二醇20-硫酸酯?
The CAS number of 5β-孕烷-3α,20α-二醇20-硫酸酯 is 49756-86-7.
What is the molecular formula of 5β-孕烷-3α,20α-二醇20-硫酸酯?
The molecular formula of 5β-孕烷-3α,20α-二醇20-硫酸酯 is C21H36O5S.
What is the molecular weight of 5β-孕烷-3α,20α-二醇20-硫酸酯?
The molecular weight of 5β-孕烷-3α,20α-二醇20-硫酸酯 is 400.23 g/mol.
Where can I buy 5β-孕烷-3α,20α-二醇20-硫酸酯?
You can request a quote for 5β-孕烷-3α,20α-二醇20-硫酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5β-孕烷-3α,20α-二醇20-硫酸酯?
Yes, KEHONG BIO provides custom synthesis services for 5β-孕烷-3α,20α-二醇20-硫酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.