4-p-Coumaroylquinic acid
TL;DR: 4-p-Coumaroylquinic acid (CAS 53539-37-0) is a chemical compound with molecular formula C16H18O8 and molecular weight 338.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trans-(3R,5R)-1,3,5-trihydroxy-4-[3-(4-hydroxyphenyl)prop-2-enoyloxy]cyclohexane-1-carboxylic acid
Also Known As: 4-p-Coumaroylquinic acid, 4-O-p-Coumaroylquinic acid, (3R,5R)-1,3,5-trihydroxy-4-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid
| Molecular Formula | C16H18O8 |
|---|---|
| Molecular Weight | 338.10 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 338.10016 |
| Heavy Atoms | 24 |
| Complexity | 482.0 |
Chemical Identifiers
| CAS Number | 53539-37-0 |
|---|---|
| SMILES | C1[C@H](C([C@@H](CC1(C(=O)O)O)O)OC(=O)C=CC2=CC=C(C=C2)O)O |
| InChIKey | XWRHBGVVCOSNKO-LGTQLRDQSA-N |
Product Overview
4-p-Coumaroylquinic acid (CAS 53539-37-0), with molecular formula C16H18O8 and molecular weight 338.10 g/mol. IUPAC: trans-(3R,5R)-1,3,5-trihydroxy-4-[3-(4-hydroxyphenyl)prop-2-enoyloxy]cyclohexane-1-carboxylic acid.
Chemical Property Profile of 4-p-Coumaroylquinic acid
Property Insights of 4-p-Coumaroylquinic acid
The XLogP value of -0.1 indicates that 4-p-Coumaroylquinic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 145.0 Ų indicates high polarity, suggesting 4-p-Coumaroylquinic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-p-Coumaroylquinic acid has 5 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 4-p-Coumaroylquinic acid?
The CAS number of 4-p-Coumaroylquinic acid is 53539-37-0.
What is the molecular formula of 4-p-Coumaroylquinic acid?
The molecular formula of 4-p-Coumaroylquinic acid is C16H18O8.
What is the molecular weight of 4-p-Coumaroylquinic acid?
The molecular weight of 4-p-Coumaroylquinic acid is 338.10 g/mol.
Where can I buy 4-p-Coumaroylquinic acid?
You can request a quote for 4-p-Coumaroylquinic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-p-Coumaroylquinic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-p-Coumaroylquinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.