2-Phenyl-1-propyl glucuronide
TL;DR: 2-Phenyl-1-propyl glucuronide (CAS 84718-96-7) is a chemical compound with molecular formula C15H20O7 and molecular weight 312.12 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-(2-phenylpropoxy)oxane-2-carboxylic acid
Also Known As: 2-Phenyl-1-propyl glucuronide, 2-Phenylpropan-1-ol glucuronide, 2-Phenyl-1-propylglucuronide, 2-Phenylpropyl beta-D-glucopyranosiduronic acid, 2-Phenylpropyl hexopyranosiduronic acid
| Molecular Formula | C15H20O7 |
|---|---|
| Molecular Weight | 312.12 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 312.1209 |
| Heavy Atoms | 22 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 84718-96-7 |
|---|---|
| SMILES | CC(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)C2=CC=CC=C2 |
| InChIKey | AXRXFIIKFZZHGS-AEIUROHVSA-N |
Product Overview
2-Phenyl-1-propyl glucuronide (CAS 84718-96-7), with molecular formula C15H20O7 and molecular weight 312.12 g/mol. IUPAC: (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(2-phenylpropoxy)oxane-2-carboxylic acid.
Chemical Property Profile of 2-Phenyl-1-propyl glucuronide
Property Insights of 2-Phenyl-1-propyl glucuronide
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Phenyl-1-propyl glucuronide. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Phenyl-1-propyl glucuronide. Following Lipinski's Rule of Five, 2-Phenyl-1-propyl 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 2-Phenyl-1-propyl glucuronide?
The CAS number of 2-Phenyl-1-propyl glucuronide is 84718-96-7.
What is the molecular formula of 2-Phenyl-1-propyl glucuronide?
The molecular formula of 2-Phenyl-1-propyl glucuronide is C15H20O7.
What is the molecular weight of 2-Phenyl-1-propyl glucuronide?
The molecular weight of 2-Phenyl-1-propyl glucuronide is 312.12 g/mol.
Where can I buy 2-Phenyl-1-propyl glucuronide?
You can request a quote for 2-Phenyl-1-propyl glucuronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenyl-1-propyl glucuronide?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenyl-1-propyl glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.