Cynarine
TL;DR: Cynarine (CAS 2450-53-5) is a chemical compound with molecular formula C25H24O12 and molecular weight 516.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-4,5-dihydroxycyclohexane-1-carboxylic acid
Also Known As: Cynarine, Cinarina, Cynarin, Cinarcaf, Cinarine
| Molecular Formula | C25H24O12 |
|---|---|
| Molecular Weight | 516.13 g/mol |
| LogP | 1.0296 |
| Topological Polar Surface Area | 211.28 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 516.1268 |
| Heavy Atoms | 37 |
| Complexity | 1250.2284 |
Chemical Identifiers
| CAS Number | 2450-53-5 |
|---|---|
| SMILES | C1C(C(C(CC1(C(=O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)O)O |
Product Overview
Cynarine (CAS 2450-53-5), with molecular formula C25H24O12 and molecular weight 516.13 g/mol. IUPAC: 1,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-4,5-dihydroxycyclohexane-1-carboxylic acid.
Chemical Property Profile of Cynarine
Property Insights of Cynarine
The XLogP value of 1.0296 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cynarine. The TPSA of 211.28 Ų indicates high polarity, suggesting Cynarine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cynarine has 7 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cynarine?
The CAS number of Cynarine is 2450-53-5.
What is the molecular formula of Cynarine?
The molecular formula of Cynarine is C25H24O12.
What is the molecular weight of Cynarine?
The molecular weight of Cynarine is 516.13 g/mol.
Where can I buy Cynarine?
You can request a quote for Cynarine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cynarine?
Yes, KEHONG BIO provides custom synthesis services for Cynarine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.