Benzoyl glucuronide
TL;DR: Benzoyl glucuronide (CAS 19237-53-7) is a chemical compound with molecular formula C13H14O8 and molecular weight 298.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6S)-6-benzoyloxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: Benzoyl glucuronide, Benzoyl-glucuronide, Benzoyl-acyl-b-D-glucuronide, Benzoic Acid Acyl-b-D-glucuronide, BENZOIC ACID GLUCURONIDE
| Molecular Formula | C13H14O8 |
|---|---|
| Molecular Weight | 298.07 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 298.06888 |
| Heavy Atoms | 21 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 19237-53-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O |
| InChIKey | NLOPFVNXNMEEDI-UNLLLRGISA-N |
Product Overview
Benzoyl glucuronide (CAS 19237-53-7), with molecular formula C13H14O8 and molecular weight 298.07 g/mol. IUPAC: (2S,3S,4S,5R,6S)-6-benzoyloxy-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of Benzoyl glucuronide
Property Insights of Benzoyl glucuronide
The XLogP value of -0.1 indicates that Benzoyl glucuronide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoyl glucuronide. Following Lipinski's Rule of Five, Benzoyl glucuronide 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 Benzoyl glucuronide?
The CAS number of Benzoyl glucuronide is 19237-53-7.
What is the molecular formula of Benzoyl glucuronide?
The molecular formula of Benzoyl glucuronide is C13H14O8.
What is the molecular weight of Benzoyl glucuronide?
The molecular weight of Benzoyl glucuronide is 298.07 g/mol.
Where can I buy Benzoyl glucuronide?
You can request a quote for Benzoyl glucuronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoyl glucuronide?
Yes, KEHONG BIO provides custom synthesis services for Benzoyl glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.