Phenylglucuronide
TL;DR: Phenylglucuronide (CAS 16063-67-5) is a chemical compound with molecular formula C12H14O7 and molecular weight 270.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R)-3,4,5-trihydroxy-6-phenoxyoxane-2-carboxylic acid
Also Known As: Phenylglucuronide, phenyl D-glucopyranosiduronic acid, phenyl d-glucopyranosiduronicacid, Phenyl hexopyranosiduronic acid, phenyl glucopyranosiduronic acid
| Molecular Formula | C12H14O7 |
|---|---|
| Molecular Weight | 270.07 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 270.07394 |
| Heavy Atoms | 19 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 16063-67-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O |
| InChIKey | WVHAUDNUGBNUDZ-SDQGTYQYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenylglucuronide (CAS 16063-67-5), with molecular formula C12H14O7 and molecular weight 270.07 g/mol. IUPAC: (2S,3S,4S,5R)-3,4,5-trihydroxy-6-phenoxyoxane-2-carboxylic acid.
Chemical Property Profile of Phenylglucuronide
Property Insights of Phenylglucuronide
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenylglucuronide. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenylglucuronide. Following Lipinski's Rule of Five, Phenylglucuronide has 4 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 Phenylglucuronide?
The CAS number of Phenylglucuronide is 16063-67-5.
What is the molecular formula of Phenylglucuronide?
The molecular formula of Phenylglucuronide is C12H14O7.
What is the molecular weight of Phenylglucuronide?
The molecular weight of Phenylglucuronide is 270.07 g/mol.
Where can I buy Phenylglucuronide?
You can request a quote for Phenylglucuronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenylglucuronide?
Yes, KEHONG BIO provides custom synthesis services for Phenylglucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.