arbutin
TL;DR: arbutin (CAS 84380-01-8) is a chemical compound with molecular formula C12H16O7 and molecular weight 272.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4R,5S,6R)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol
Also Known As: arbutin, alpha-Arbutin, (2S,3R,4R,5S,6R)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol, (2S,3R,4R,5S,6R)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
| Molecular Formula | C12H16O7 |
|---|---|
| Molecular Weight | 272.09 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.0896 |
| Heavy Atoms | 19 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 84380-01-8 |
|---|---|
| SMILES | C1=CC(=CC=C1O)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CO)O)O)O |
| InChIKey | BJRNKVDFDLYUGJ-SVNGYHJRSA-N |
Product Overview
arbutin (CAS 84380-01-8), with molecular formula C12H16O7 and molecular weight 272.09 g/mol. IUPAC: (2S,3R,4R,5S,6R)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol.
Chemical Property Profile of arbutin
Property Insights of arbutin
The XLogP value of -0.7 indicates that arbutin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for arbutin. Following Lipinski's Rule of Five, arbutin has 5 hydrogen bond donor(s) and 7 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 arbutin?
The CAS number of arbutin is 84380-01-8.
What is the molecular formula of arbutin?
The molecular formula of arbutin is C12H16O7.
What is the molecular weight of arbutin?
The molecular weight of arbutin is 272.09 g/mol.
Where can I buy arbutin?
You can request a quote for arbutin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for arbutin?
Yes, KEHONG BIO provides custom synthesis services for arbutin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.