5-对香豆酰奎宁酸
TL;DR: 5-对香豆酰奎宁酸 (CAS 32451-86-8) 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.
5-对香豆酰奎宁酸
(1S,3R,4R,5R)-1,3,4-trihydroxy-5-[3-(4-hydroxyphenyl)prop-2-enoyloxy]cyclohexane-1-carboxylic acid
Also Known As: Propargylsulfit, 5-p-coumaroylquinic acid, 3-p-coumaroylquinic acid, 5-pCoQA, 3-O-Coumaroylquinic 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 | 496.0 |
Chemical Identifiers
| CAS Number | 32451-86-8 |
|---|---|
| SMILES | C1[C@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)OC(=O)C=CC2=CC=C(C=C2)O)O)O |
| InChIKey | BMRSEYFENKXDIS-NCZKRNLISA-N |
Product Overview
5-对香豆酰奎宁酸 (CAS 32451-86-8), with molecular formula C16H18O8 and molecular weight 338.10 g/mol. IUPAC: (1S,3R,4R,5R)-1,3,4-trihydroxy-5-[3-(4-hydroxyphenyl)prop-2-enoyloxy]cyclohexane-1-carboxylic acid.
Chemical Property Profile of 5-对香豆酰奎宁酸
Property Insights of 5-对香豆酰奎宁酸
The XLogP value of -0.1 indicates that 5-对香豆酰奎宁酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 145.0 Ų indicates high polarity, suggesting 5-对香豆酰奎宁酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-对香豆酰奎宁酸 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 5-对香豆酰奎宁酸?
The CAS number of 5-对香豆酰奎宁酸 is 32451-86-8.
What is the molecular formula of 5-对香豆酰奎宁酸?
The molecular formula of 5-对香豆酰奎宁酸 is C16H18O8.
What is the molecular weight of 5-对香豆酰奎宁酸?
The molecular weight of 5-对香豆酰奎宁酸 is 338.10 g/mol.
Where can I buy 5-对香豆酰奎宁酸?
You can request a quote for 5-对香豆酰奎宁酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-对香豆酰奎宁酸?
Yes, KEHONG BIO provides custom synthesis services for 5-对香豆酰奎宁酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.