Diosgenin acetate
TL;DR: Diosgenin acetate (CAS 1061-54-7) is a chemical compound with molecular formula C29H44O4 and molecular weight 456.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl] acetate
Also Known As: Diosgenin acetate, Yamogenin acetate, 3-O-acetyl-diosgenin, DIOSGENIN, ACETATE, 22-epi-Diosgenin acetate
| Molecular Formula | C29H44O4 |
|---|---|
| Molecular Weight | 456.32 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 456.32397 |
| Heavy Atoms | 33 |
| Complexity | 851.0 |
Chemical Identifiers
| CAS Number | 1061-54-7 |
|---|---|
| SMILES | C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)OC(=O)C)C)C)C)OC1 |
| InChIKey | CZCROZIJKBXZDP-IKEOEMBBSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diosgenin acetate (CAS 1061-54-7), with molecular formula C29H44O4 and molecular weight 456.32 g/mol. IUPAC: [(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl] acetate.
Chemical Property Profile of Diosgenin acetate
Property Insights of Diosgenin acetate
The XLogP value of 6.2 indicates that Diosgenin acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, Diosgenin acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diosgenin acetate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Diosgenin acetate?
The CAS number of Diosgenin acetate is 1061-54-7.
What is the molecular formula of Diosgenin acetate?
The molecular formula of Diosgenin acetate is C29H44O4.
What is the molecular weight of Diosgenin acetate?
The molecular weight of Diosgenin acetate is 456.32 g/mol.
Where can I buy Diosgenin acetate?
You can request a quote for Diosgenin acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diosgenin acetate?
Yes, KEHONG BIO provides custom synthesis services for Diosgenin acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.