(25R)-5alpha-Spirostan-3beta-yl acetate
TL;DR: (25R)-5alpha-Spirostan-3beta-yl acetate (CAS 2530-07-6) is a chemical compound with molecular formula C29H46O4 and molecular weight 458.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl] acetate
Also Known As: Tigogenin acetate, Acetyltigogenin, Smilagenin acetate, TIGOGENINACETATE, Spirostan-3-yl acetate
| Molecular Formula | C29H46O4 |
|---|---|
| Molecular Weight | 458.34 g/mol |
| LogP | 7.1 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 458.3396 |
| Heavy Atoms | 33 |
| Complexity | 796.0 |
Chemical Identifiers
| CAS Number | 2530-07-6 |
|---|---|
| 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[C@@H]6[C@@]5(CC[C@@H](C6)OC(=O)C)C)C)C)OC1 |
| InChIKey | LVRAKYNQYKVPIK-OMRXZHHXSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(25R)-5alpha-Spirostan-3beta-yl acetate (CAS 2530-07-6), with molecular formula C29H46O4 and molecular weight 458.34 g/mol. IUPAC: [(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl] acetate.
Chemical Property Profile of (25R)-5alpha-Spirostan-3beta-yl acetate
Property Insights of (25R)-5alpha-Spirostan-3beta-yl acetate
The XLogP value of 7.1 indicates that (25R)-5alpha-Spirostan-3beta-yl 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, (25R)-5alpha-Spirostan-3beta-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (25R)-5alpha-Spirostan-3beta-yl 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 (25R)-5alpha-Spirostan-3beta-yl acetate?
The CAS number of (25R)-5alpha-Spirostan-3beta-yl acetate is 2530-07-6.
What is the molecular formula of (25R)-5alpha-Spirostan-3beta-yl acetate?
The molecular formula of (25R)-5alpha-Spirostan-3beta-yl acetate is C29H46O4.
What is the molecular weight of (25R)-5alpha-Spirostan-3beta-yl acetate?
The molecular weight of (25R)-5alpha-Spirostan-3beta-yl acetate is 458.34 g/mol.
Where can I buy (25R)-5alpha-Spirostan-3beta-yl acetate?
You can request a quote for (25R)-5alpha-Spirostan-3beta-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (25R)-5alpha-Spirostan-3beta-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for (25R)-5alpha-Spirostan-3beta-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.