Cannigenin
TL;DR: Cannigenin (CAS 61117-39-3) is a chemical compound with molecular formula C27H44O4 and molecular weight 432.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S,4S,5'R,7S,8R,9S,12S,13S,14R,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-14,16-diol
Also Known As: Cannigenin, Brisbagenin, Spirostan-1,3-diol, (1beta,3alpha,5alpha,25R)-, (1S,2S,4S,5'R,7S,8R,9S,12S,13S,14R,16S,18S)-5',7,9,13-tetramethylspiro(5-oxapentacyclo(10.8.0.02,9.04,8.013,18)icosane-6,2'-oxane)-14,16-diol, (1S,2S,4S,5'R,7S,8R,9S,12S,13S,14R,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-14,16-diol
| Molecular Formula | C27H44O4 |
|---|---|
| Molecular Weight | 432.32 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 432.32397 |
| Heavy Atoms | 31 |
| Complexity | 726.0 |
Chemical Identifiers
| CAS Number | 61117-39-3 |
|---|---|
| SMILES | C[C@@H]1CCC2([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([C@@H](C[C@H](C6)O)O)C)C)C)OC1 |
| InChIKey | NCLLSOCDVMFDSK-NDFNDBBUSA-N |
Product Overview
Cannigenin (CAS 61117-39-3), with molecular formula C27H44O4 and molecular weight 432.32 g/mol. IUPAC: (1S,2S,4S,5'R,7S,8R,9S,12S,13S,14R,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-14,16-diol.
Chemical Property Profile of Cannigenin
Property Insights of Cannigenin
The XLogP value of 5.5 indicates that Cannigenin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.9 Ų, Cannigenin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cannigenin has 2 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 Cannigenin?
The CAS number of Cannigenin is 61117-39-3.
What is the molecular formula of Cannigenin?
The molecular formula of Cannigenin is C27H44O4.
What is the molecular weight of Cannigenin?
The molecular weight of Cannigenin is 432.32 g/mol.
Where can I buy Cannigenin?
You can request a quote for Cannigenin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cannigenin?
Yes, KEHONG BIO provides custom synthesis services for Cannigenin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.