P-Cresol glucuronide
TL;DR: P-Cresol glucuronide (CAS 17680-99-8) 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,6S)-3,4,5-trihydroxy-6-(4-methylphenoxy)oxane-2-carboxylic acid
Also Known As: p-Cresol glucuronide, Cresylglucuronide, p-Cresyl glucuronide, p-cresylglucuronide, Cresol glucuronide
| Molecular Formula | C13H16O7 |
|---|---|
| Molecular Weight | 284.09 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.0896 |
| Heavy Atoms | 20 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 17680-99-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O |
| InChIKey | JPAUCQAJHLSMQW-XPORZQOISA-N |
Product Overview
P-Cresol glucuronide (CAS 17680-99-8), with molecular formula C13H16O7 and molecular weight 284.09 g/mol. IUPAC: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-methylphenoxy)oxane-2-carboxylic acid.
Chemical Property Profile of P-Cresol glucuronide
Property Insights of P-Cresol glucuronide
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for P-Cresol glucuronide. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for P-Cresol glucuronide. Following Lipinski's Rule of Five, P-Cresol glucuronide 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 P-Cresol glucuronide?
The CAS number of P-Cresol glucuronide is 17680-99-8.
What is the molecular formula of P-Cresol glucuronide?
The molecular formula of P-Cresol glucuronide is C13H16O7.
What is the molecular weight of P-Cresol glucuronide?
The molecular weight of P-Cresol glucuronide is 284.09 g/mol.
Where can I buy P-Cresol glucuronide?
You can request a quote for P-Cresol glucuronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for P-Cresol glucuronide?
Yes, KEHONG BIO provides custom synthesis services for P-Cresol glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.