Tremuloidin
TL;DR: Tremuloidin (CAS 529-66-8) is a chemical compound with molecular formula C20H22O8 and molecular weight 390.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(hydroxymethyl)phenoxy]oxan-3-yl] benzoate
Also Known As: Tremuloidin, tremuldin, 2'-benzoylsalicin, tremuloidine, 2-Benzoylsalicin
| Molecular Formula | C20H22O8 |
|---|---|
| Molecular Weight | 390.13 g/mol |
| LogP | 0.2223 |
| Topological Polar Surface Area | 125.68 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 390.13147 |
| Heavy Atoms | 28 |
| Complexity | 780.785 |
Chemical Identifiers
| CAS Number | 529-66-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC=CC=C3CO)CO)O)O |
Product Overview
Tremuloidin (CAS 529-66-8), with molecular formula C20H22O8 and molecular weight 390.13 g/mol. IUPAC: [(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(hydroxymethyl)phenoxy]oxan-3-yl] benzoate.
Chemical Property Profile of Tremuloidin
Property Insights of Tremuloidin
The XLogP value of 0.2223 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tremuloidin. The TPSA of 125.68 Ų falls within the moderate polarity range, balancing permeability and solubility for Tremuloidin. Following Lipinski's Rule of Five, Tremuloidin has 4 hydrogen bond donor(s) and 8 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 Tremuloidin?
The CAS number of Tremuloidin is 529-66-8.
What is the molecular formula of Tremuloidin?
The molecular formula of Tremuloidin is C20H22O8.
What is the molecular weight of Tremuloidin?
The molecular weight of Tremuloidin is 390.13 g/mol.
Where can I buy Tremuloidin?
You can request a quote for Tremuloidin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tremuloidin?
Yes, KEHONG BIO provides custom synthesis services for Tremuloidin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.