Trilobatin
TL;DR: Trilobatin (CAS 4192-90-9) is a chemical compound with molecular formula C21H24O10 and molecular weight 436.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2,6-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-hydroxyphenyl)propan-1-one
Also Known As: Trilobatin, p-Phlorizin, p-Phloridzin, PRUNINDIHYDROCHALCONE, phloretin-4'-O-glucoside
| Molecular Formula | C21H24O10 |
|---|---|
| Molecular Weight | 436.14 g/mol |
| LogP | -0.2024 |
| Topological Polar Surface Area | 177.14 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 436.13693 |
| Heavy Atoms | 31 |
| Complexity | 887.87164 |
Chemical Identifiers
| CAS Number | 4192-90-9 |
|---|---|
| SMILES | C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O |
Product Overview
Trilobatin (CAS 4192-90-9), with molecular formula C21H24O10 and molecular weight 436.14 g/mol. IUPAC: 1-[2,6-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-hydroxyphenyl)propan-1-one.
Chemical Property Profile of Trilobatin
Property Insights of Trilobatin
The XLogP value of -0.2024 indicates that Trilobatin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 177.14 Ų indicates high polarity, suggesting Trilobatin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Trilobatin has 7 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Trilobatin?
The CAS number of Trilobatin is 4192-90-9.
What is the molecular formula of Trilobatin?
The molecular formula of Trilobatin is C21H24O10.
What is the molecular weight of Trilobatin?
The molecular weight of Trilobatin is 436.14 g/mol.
Where can I buy Trilobatin?
You can request a quote for Trilobatin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trilobatin?
Yes, KEHONG BIO provides custom synthesis services for Trilobatin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.