Australigenin
TL;DR: Australigenin (CAS 90865-22-8) 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,6R,7S,8R,9S,12S,13S,14R,16R,18S)-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-14,16-diol
Also Known As: Australigenin, Convallamarogenin, Spirost-25(27)-en-1,3-diol, 5alpha-spirost-25(27)-en-1beta,3beta-diol, 5alpha-Spirost-25(27)-ene-1beta,3beta-diol
| Molecular Formula | C27H42O4 |
|---|---|
| Molecular Weight | 430.31 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 430.30832 |
| Heavy Atoms | 31 |
| Complexity | 766.0 |
Chemical Identifiers
| CAS Number | 90865-22-8 |
|---|---|
| SMILES | C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@@H]5[C@@]4([C@@H](C[C@@H](C5)O)O)C)C)O[C@]16CCC(=C)CO6 |
| InChIKey | XLHFBXMTUNORSV-XLVIIDFLSA-N |
Product Overview
Australigenin (CAS 90865-22-8), with molecular formula C27H42O4 and molecular weight 430.31 g/mol. IUPAC: (1S,2S,4S,6R,7S,8R,9S,12S,13S,14R,16R,18S)-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-14,16-diol.
Chemical Property Profile of Australigenin
Property Insights of Australigenin
The XLogP value of 4.9 indicates that Australigenin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.9 Ų, Australigenin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Australigenin 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 Australigenin?
The CAS number of Australigenin is 90865-22-8.
What is the molecular formula of Australigenin?
The molecular formula of Australigenin is C27H42O4.
What is the molecular weight of Australigenin?
The molecular weight of Australigenin is 430.31 g/mol.
Where can I buy Australigenin?
You can request a quote for Australigenin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Australigenin?
Yes, KEHONG BIO provides custom synthesis services for Australigenin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.