trans-5-O-(4-coumaroyl)-D-quinic acid
TL;DR: trans-5-O-(4-coumaroyl)-D-quinic acid (CAS 1899-30-5) 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.
(1S,3R,4R,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid
Also Known As: 3-p-coumaroylquinic acid, 2-Coumaroylquinic acid, p-Coumaroyl quinic acid, o-Coumaroylquinic acid, p-Coumaroylquinic acid
| Molecular Formula | C16H18O8 |
|---|---|
| Molecular Weight | 338.10 g/mol |
| LogP | -0.3515 |
| Topological Polar Surface Area | 144.52 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 338.10016 |
| Heavy Atoms | 24 |
| Complexity | 637.9824 |
Chemical Identifiers
| CAS Number | 1899-30-5 |
|---|---|
| SMILES | C1[C@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)OC(=O)/C=C/C2=CC=C(C=C2)O)O)O |
Product Overview
trans-5-O-(4-coumaroyl)-D-quinic acid (CAS 1899-30-5), with molecular formula C16H18O8 and molecular weight 338.10 g/mol. IUPAC: (1S,3R,4R,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid.
Chemical Property Profile of trans-5-O-(4-coumaroyl)-D-quinic acid
Property Insights of trans-5-O-(4-coumaroyl)-D-quinic acid
The XLogP value of -0.3515 indicates that trans-5-O-(4-coumaroyl)-D-quinic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 144.52 Ų indicates high polarity, suggesting trans-5-O-(4-coumaroyl)-D-quinic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, trans-5-O-(4-coumaroyl)-D-quinic acid has 5 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 trans-5-O-(4-coumaroyl)-D-quinic acid?
The CAS number of trans-5-O-(4-coumaroyl)-D-quinic acid is 1899-30-5.
What is the molecular formula of trans-5-O-(4-coumaroyl)-D-quinic acid?
The molecular formula of trans-5-O-(4-coumaroyl)-D-quinic acid is C16H18O8.
What is the molecular weight of trans-5-O-(4-coumaroyl)-D-quinic acid?
The molecular weight of trans-5-O-(4-coumaroyl)-D-quinic acid is 338.10 g/mol.
Where can I buy trans-5-O-(4-coumaroyl)-D-quinic acid?
You can request a quote for trans-5-O-(4-coumaroyl)-D-quinic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-5-O-(4-coumaroyl)-D-quinic acid?
Yes, KEHONG BIO provides custom synthesis services for trans-5-O-(4-coumaroyl)-D-quinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.