(3beta,22alpha,25S)-22,25-Epoxyfurost-5-ene-3,26-diol
TL;DR: (3beta,22alpha,25S)-22,25-Epoxyfurost-5-ene-3,26-diol (CAS 6811-35-4) is a chemical compound with molecular formula C27H42O4 and molecular weight 430.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S,4S,5'S,6S,7S,8R,9S,12S,13R,16S)-5'-(hydroxymethyl)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxolane]-16-ol
Also Known As: Nuatigenin, 22S,25S-furospirost-5-en-3beta,26-diol, (20S,22S,25S)-22,25-Epoxyfurost-5-ene-3beta,26-diol, (25S)-22alpha,25-Epoxyfurost-5-ene-3beta,26-diol, (22S,25S)-22,25-Epoxyfurost-5-en-3beta,26-diol
| Molecular Formula | C27H42O4 |
|---|---|
| Molecular Weight | 430.31 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 430.30832 |
| Heavy Atoms | 31 |
| Complexity | 794.0 |
Chemical Identifiers
| CAS Number | 6811-35-4 |
|---|---|
| SMILES | C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)C)O[C@]16CC[C@@](O6)(C)CO |
| InChIKey | NELZMZLNTYWIPD-MLBSDYKWSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(3beta,22alpha,25S)-22,25-Epoxyfurost-5-ene-3,26-diol (CAS 6811-35-4), with molecular formula C27H42O4 and molecular weight 430.31 g/mol. IUPAC: (1S,2S,4S,5'S,6S,7S,8R,9S,12S,13R,16S)-5'-(hydroxymethyl)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxolane]-16-ol.
Chemical Property Profile of (3beta,22alpha,25S)-22,25-Epoxyfurost-5-ene-3,26-diol
Property Insights of (3beta,22alpha,25S)-22,25-Epoxyfurost-5-ene-3,26-diol
The XLogP value of 4.4 indicates that (3beta,22alpha,25S)-22,25-Epoxyfurost-5-ene-3,26-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.9 Ų, (3beta,22alpha,25S)-22,25-Epoxyfurost-5-ene-3,26-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3beta,22alpha,25S)-22,25-Epoxyfurost-5-ene-3,26-diol has 2 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 (3beta,22alpha,25S)-22,25-Epoxyfurost-5-ene-3,26-diol?
The CAS number of (3beta,22alpha,25S)-22,25-Epoxyfurost-5-ene-3,26-diol is 6811-35-4.
What is the molecular formula of (3beta,22alpha,25S)-22,25-Epoxyfurost-5-ene-3,26-diol?
The molecular formula of (3beta,22alpha,25S)-22,25-Epoxyfurost-5-ene-3,26-diol is C27H42O4.
What is the molecular weight of (3beta,22alpha,25S)-22,25-Epoxyfurost-5-ene-3,26-diol?
The molecular weight of (3beta,22alpha,25S)-22,25-Epoxyfurost-5-ene-3,26-diol is 430.31 g/mol.
Where can I buy (3beta,22alpha,25S)-22,25-Epoxyfurost-5-ene-3,26-diol?
You can request a quote for (3beta,22alpha,25S)-22,25-Epoxyfurost-5-ene-3,26-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3beta,22alpha,25S)-22,25-Epoxyfurost-5-ene-3,26-diol?
Yes, KEHONG BIO provides custom synthesis services for (3beta,22alpha,25S)-22,25-Epoxyfurost-5-ene-3,26-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.