Shuterin
TL;DR: Shuterin (CAS 115236-65-2) is a chemical compound with molecular formula C20H20O6 and molecular weight 356.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Also Known As: Shuterin, KST-1A0714, (2R,3R)-3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-en-1-yl)chroman-4-one, (2R,3R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one, (2R)-2,3-Dihydro-3beta,5,7-trihydroxy-2alpha-(4-hydroxyphenyl)-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one
| Molecular Formula | C20H20O6 |
|---|---|
| Molecular Weight | 356.13 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 356.12598 |
| Heavy Atoms | 26 |
| Complexity | 534.0 |
Chemical Identifiers
| CAS Number | 115236-65-2 |
|---|---|
| SMILES | CC(=CCC1=C(C2=C(C=C1O)O[C@@H]([C@H](C2=O)O)C3=CC=C(C=C3)O)O)C |
| InChIKey | DLXOCNCDPKONDY-VQTJNVASSA-N |
Product Overview
Shuterin (CAS 115236-65-2), with molecular formula C20H20O6 and molecular weight 356.13 g/mol. IUPAC: (2R,3R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one.
Chemical Property Profile of Shuterin
Property Insights of Shuterin
The XLogP value of 3.8 indicates that Shuterin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Shuterin. Following Lipinski's Rule of Five, Shuterin has 4 hydrogen bond donor(s) and 6 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 Shuterin?
The CAS number of Shuterin is 115236-65-2.
What is the molecular formula of Shuterin?
The molecular formula of Shuterin is C20H20O6.
What is the molecular weight of Shuterin?
The molecular weight of Shuterin is 356.13 g/mol.
Where can I buy Shuterin?
You can request a quote for Shuterin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Shuterin?
Yes, KEHONG BIO provides custom synthesis services for Shuterin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.