Dihydroferulic acid 4-O-glucuronide
TL;DR: Dihydroferulic acid 4-O-glucuronide (CAS 86321-28-0) is a chemical compound with molecular formula C16H20O10 and molecular weight 372.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6S)-6-[4-(2-carboxyethyl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: Dihydroferulic acid 4-O-glucuronide, Dihydro Ferulic Acid 4-O-beta-D-Glucuronide, (2S,3S,4S,5R,6S)-6-[4-(2-carboxyethyl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid, Dihydroferulic Acid 4-O-Glucuronide Lithium, J3.602.187J
| Molecular Formula | C16H20O10 |
|---|---|
| Molecular Weight | 372.11 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 163.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 372.10565 |
| Heavy Atoms | 26 |
| Complexity | 497.0 |
Chemical Identifiers
| CAS Number | 86321-28-0 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)CCC(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O |
| InChIKey | KYERCTIKYSSKPA-JHZZJYKESA-N |
Product Overview
Dihydroferulic acid 4-O-glucuronide (CAS 86321-28-0), with molecular formula C16H20O10 and molecular weight 372.11 g/mol. IUPAC: (2S,3S,4S,5R,6S)-6-[4-(2-carboxyethyl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of Dihydroferulic acid 4-O-glucuronide
Property Insights of Dihydroferulic acid 4-O-glucuronide
The XLogP value of -0.3 indicates that Dihydroferulic acid 4-O-glucuronide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 163.0 Ų indicates high polarity, suggesting Dihydroferulic acid 4-O-glucuronide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dihydroferulic acid 4-O-glucuronide has 5 hydrogen bond donor(s) and 10 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 Dihydroferulic acid 4-O-glucuronide?
The CAS number of Dihydroferulic acid 4-O-glucuronide is 86321-28-0.
What is the molecular formula of Dihydroferulic acid 4-O-glucuronide?
The molecular formula of Dihydroferulic acid 4-O-glucuronide is C16H20O10.
What is the molecular weight of Dihydroferulic acid 4-O-glucuronide?
The molecular weight of Dihydroferulic acid 4-O-glucuronide is 372.11 g/mol.
Where can I buy Dihydroferulic acid 4-O-glucuronide?
You can request a quote for Dihydroferulic acid 4-O-glucuronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dihydroferulic acid 4-O-glucuronide?
Yes, KEHONG BIO provides custom synthesis services for Dihydroferulic acid 4-O-glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.