Pregna-5,16,20-triene-3beta,20-diol diacetate
TL;DR: Pregna-5,16,20-triene-3beta,20-diol diacetate (CAS 6273-43-4) is a chemical compound with molecular formula C25H34O4 and molecular weight 398.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,8R,9S,10R,13S,14S)-17-(1-acetyloxyethenyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Also Known As: A,20-diol diacetate, 5,16,20-pregnatriene-3, Pregna-5,16,20-triene-3beta,20-diol diacetate, 5,16,20-pregnatriene-3, A,20-diol diacetate
| Molecular Formula | C25H34O4 |
|---|---|
| Molecular Weight | 398.25 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.2457 |
| Heavy Atoms | 29 |
| Complexity | 806.0 |
Chemical Identifiers
| CAS Number | 6273-43-4 |
|---|---|
| SMILES | CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC=C4C(=C)OC(=O)C)C)C |
| InChIKey | WVWYUFYNHHQVFI-ABVATSDPSA-N |
Product Overview
Pregna-5,16,20-triene-3beta,20-diol diacetate (CAS 6273-43-4), with molecular formula C25H34O4 and molecular weight 398.25 g/mol. IUPAC: [(3S,8R,9S,10R,13S,14S)-17-(1-acetyloxyethenyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate.
Chemical Property Profile of Pregna-5,16,20-triene-3beta,20-diol diacetate
Property Insights of Pregna-5,16,20-triene-3beta,20-diol diacetate
The XLogP value of 5.0 indicates that Pregna-5,16,20-triene-3beta,20-diol diacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Pregna-5,16,20-triene-3beta,20-diol diacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pregna-5,16,20-triene-3beta,20-diol diacetate has 0 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 Pregna-5,16,20-triene-3beta,20-diol diacetate?
The CAS number of Pregna-5,16,20-triene-3beta,20-diol diacetate is 6273-43-4.
What is the molecular formula of Pregna-5,16,20-triene-3beta,20-diol diacetate?
The molecular formula of Pregna-5,16,20-triene-3beta,20-diol diacetate is C25H34O4.
What is the molecular weight of Pregna-5,16,20-triene-3beta,20-diol diacetate?
The molecular weight of Pregna-5,16,20-triene-3beta,20-diol diacetate is 398.25 g/mol.
Where can I buy Pregna-5,16,20-triene-3beta,20-diol diacetate?
You can request a quote for Pregna-5,16,20-triene-3beta,20-diol diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pregna-5,16,20-triene-3beta,20-diol diacetate?
Yes, KEHONG BIO provides custom synthesis services for Pregna-5,16,20-triene-3beta,20-diol diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.