Trifolirhizin
TL;DR: Trifolirhizin (CAS 6807-83-6) is a chemical compound with molecular formula C22H22O10 and molecular weight 446.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1R,12R)-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-16-yl]oxy]oxane-3,4,5-triol
Also Known As: Trifolirhizin, Sophojaponicin B2, Maackiain 3-glucoside, l-Maackiain monoglucoside, Trifolirhizin (Standard)
| Molecular Formula | C22H22O10 |
|---|---|
| Molecular Weight | 446.12 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 446.1213 |
| Heavy Atoms | 32 |
| Complexity | 679.0 |
Chemical Identifiers
| CAS Number | 6807-83-6 |
|---|---|
| SMILES | C1[C@@H]2[C@H](C3=C(O1)C=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC5=CC6=C(C=C25)OCO6 |
| InChIKey | VGSYCWGXBYZLLE-QEEQPWONSA-N |
Product Overview
Trifolirhizin (CAS 6807-83-6), with molecular formula C22H22O10 and molecular weight 446.12 g/mol. IUPAC: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1R,12R)-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-16-yl]oxy]oxane-3,4,5-triol.
Chemical Property Profile of Trifolirhizin
Property Insights of Trifolirhizin
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trifolirhizin. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Trifolirhizin. Following Lipinski's Rule of Five, Trifolirhizin has 4 hydrogen bond donor(s) and 10 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 Trifolirhizin?
The CAS number of Trifolirhizin is 6807-83-6.
What is the molecular formula of Trifolirhizin?
The molecular formula of Trifolirhizin is C22H22O10.
What is the molecular weight of Trifolirhizin?
The molecular weight of Trifolirhizin is 446.12 g/mol.
Where can I buy Trifolirhizin?
You can request a quote for Trifolirhizin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trifolirhizin?
Yes, KEHONG BIO provides custom synthesis services for Trifolirhizin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.