Androst-5-ene-3,16,17-triol-3-sulfate
TL;DR: Androst-5-ene-3,16,17-triol-3-sulfate (CAS 2681-63-2) is a chemical compound with molecular formula C19H30O6S and molecular weight 386.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8R,9S,10R,13S,14S)-16,17-dihydroxy-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: A-Triols, Androst-5-ene-3,16,17-triol-3-sulfate, 16,17-Dihydroxyandrost-5-en-3-yl hydrogen sulfate, Androst-5-ene-3,16,17-triol, 3-(hydrogen sulfate), (3beta,16alpha,17beta)-, Androst-5-ene-3,16,17-triol,3-(hydrogen sulfate), (3b,16a,17b)- (9CI)
| Molecular Formula | C19H30O6S |
|---|---|
| Molecular Weight | 386.18 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 386.1763 |
| Heavy Atoms | 26 |
| Complexity | 712.0 |
Chemical Identifiers
| CAS Number | 2681-63-2 |
|---|---|
| SMILES | C[C@]12CCC(CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC(C4O)O)C)OS(=O)(=O)O |
| InChIKey | NEEPVBBBPFLSII-DPKZMNKYSA-N |
Product Overview
Androst-5-ene-3,16,17-triol-3-sulfate (CAS 2681-63-2), with molecular formula C19H30O6S and molecular weight 386.18 g/mol. IUPAC: [(8R,9S,10R,13S,14S)-16,17-dihydroxy-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 Androst-5-ene-3,16,17-triol-3-sulfate
Property Insights of Androst-5-ene-3,16,17-triol-3-sulfate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Androst-5-ene-3,16,17-triol-3-sulfate. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Androst-5-ene-3,16,17-triol-3-sulfate. Following Lipinski's Rule of Five, Androst-5-ene-3,16,17-triol-3-sulfate has 3 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 Androst-5-ene-3,16,17-triol-3-sulfate?
The CAS number of Androst-5-ene-3,16,17-triol-3-sulfate is 2681-63-2.
What is the molecular formula of Androst-5-ene-3,16,17-triol-3-sulfate?
The molecular formula of Androst-5-ene-3,16,17-triol-3-sulfate is C19H30O6S.
What is the molecular weight of Androst-5-ene-3,16,17-triol-3-sulfate?
The molecular weight of Androst-5-ene-3,16,17-triol-3-sulfate is 386.18 g/mol.
Where can I buy Androst-5-ene-3,16,17-triol-3-sulfate?
You can request a quote for Androst-5-ene-3,16,17-triol-3-sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Androst-5-ene-3,16,17-triol-3-sulfate?
Yes, KEHONG BIO provides custom synthesis services for Androst-5-ene-3,16,17-triol-3-sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.