Benzyl Alcohol Glucuronide
TL;DR: Benzyl Alcohol Glucuronide (CAS 5285-02-9) is a chemical compound with molecular formula C13H16O7 and molecular weight 284.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-phenylmethoxyoxane-2-carboxylic acid
Also Known As: Benzyl Alcohol Glucuronide, Benzyl b-D-glucopyranosiduronic acid, benzyl beta-d-glucopyranosiduronic acid, Benzyl, A-D-Glucopyranosiduronic Acid
| Molecular Formula | C13H16O7 |
|---|---|
| Molecular Weight | 284.09 g/mol |
| LogP | -0.9046 |
| Topological Polar Surface Area | 116.45 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 284.0896 |
| Heavy Atoms | 20 |
| Complexity | 449.29272 |
Chemical Identifiers
| CAS Number | 5285-02-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O |
Product Overview
Benzyl Alcohol Glucuronide (CAS 5285-02-9), with molecular formula C13H16O7 and molecular weight 284.09 g/mol. IUPAC: (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-phenylmethoxyoxane-2-carboxylic acid.
Chemical Property Profile of Benzyl Alcohol Glucuronide
Property Insights of Benzyl Alcohol Glucuronide
The XLogP value of -0.9046 indicates that Benzyl Alcohol Glucuronide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 116.45 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl Alcohol Glucuronide. Following Lipinski's Rule of Five, Benzyl Alcohol Glucuronide 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 Benzyl Alcohol Glucuronide?
The CAS number of Benzyl Alcohol Glucuronide is 5285-02-9.
What is the molecular formula of Benzyl Alcohol Glucuronide?
The molecular formula of Benzyl Alcohol Glucuronide is C13H16O7.
What is the molecular weight of Benzyl Alcohol Glucuronide?
The molecular weight of Benzyl Alcohol Glucuronide is 284.09 g/mol.
Where can I buy Benzyl Alcohol Glucuronide?
You can request a quote for Benzyl Alcohol Glucuronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl Alcohol Glucuronide?
Yes, KEHONG BIO provides custom synthesis services for Benzyl Alcohol Glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.