Allopregnanolone sulfate
TL;DR: Allopregnanolone sulfate (CAS 7730-00-9) 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.
[(3S,5S,8R,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
Also Known As: HPOS, allopregnanolone sulfate, 3-Hydroxypregnan-3-one 3-sulfate, 3-hydroxypregnan-3-one3-sulfate, 3alpha-Hydroxy-5alpha-pregnan-20-one sulfate
| Molecular Formula | C21H34O5S |
|---|---|
| Molecular Weight | 398.21 g/mol |
| LogP | 4.4223 |
| Topological Polar Surface Area | 80.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 398.2127 |
| Heavy Atoms | 27 |
| Complexity | 718.0836 |
Chemical Identifiers
| CAS Number | 7730-00-9 |
|---|---|
| SMILES | CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)OS(=O)(=O)O)C)C |
Product Overview
Allopregnanolone sulfate (CAS 7730-00-9), with molecular formula C21H34O5S and molecular weight 398.21 g/mol. IUPAC: [(3S,5S,8R,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate.
Chemical Property Profile of Allopregnanolone sulfate
Property Insights of Allopregnanolone sulfate
The XLogP value of 4.4223 indicates that Allopregnanolone sulfate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Allopregnanolone sulfate. Following Lipinski's Rule of Five, Allopregnanolone sulfate has 1 hydrogen bond donor(s) and 4 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 Allopregnanolone sulfate?
The CAS number of Allopregnanolone sulfate is 7730-00-9.
What is the molecular formula of Allopregnanolone sulfate?
The molecular formula of Allopregnanolone sulfate is C21H34O5S.
What is the molecular weight of Allopregnanolone sulfate?
The molecular weight of Allopregnanolone sulfate is 398.21 g/mol.
Where can I buy Allopregnanolone sulfate?
You can request a quote for Allopregnanolone sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allopregnanolone sulfate?
Yes, KEHONG BIO provides custom synthesis services for Allopregnanolone sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.