菜蓟素
TL;DR: 菜蓟素 (CAS 1182-34-9) 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.
菜蓟素
1,4-bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-3,5-dihydroxycyclohexane-1-carboxylic acid
Also Known As: Cynarin, 1,4-Dicaffeoylquinic acid, Dicaffeoylquinic acid, 1,4-, 1,4-DCQA, 1,4-bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-3,5-dihydroxycyclohexane-1-carboxylic acid
| Molecular Formula | C25H24O12 |
|---|---|
| Molecular Weight | 516.13 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 211.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Exact Mass | 516.1268 |
| Heavy Atoms | 37 |
| Complexity | 873.0 |
Chemical Identifiers
| CAS Number | 1182-34-9 |
|---|---|
| SMILES | C1C(C(C(CC1(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O |
| InChIKey | IYXQRCXQQWUFQV-UHFFFAOYSA-N |
Product Overview
菜蓟素 (CAS 1182-34-9), with molecular formula C25H24O12 and molecular weight 516.13 g/mol. IUPAC: 1,4-bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-3,5-dihydroxycyclohexane-1-carboxylic acid.
Chemical Property Profile of 菜蓟素
Property Insights of 菜蓟素
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 菜蓟素. The TPSA of 211.0 Ų indicates high polarity, suggesting 菜蓟素 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 菜蓟素 has 7 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 菜蓟素?
The CAS number of 菜蓟素 is 1182-34-9.
What is the molecular formula of 菜蓟素?
The molecular formula of 菜蓟素 is C25H24O12.
What is the molecular weight of 菜蓟素?
The molecular weight of 菜蓟素 is 516.13 g/mol.
Where can I buy 菜蓟素?
You can request a quote for 菜蓟素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 菜蓟素?
Yes, KEHONG BIO provides custom synthesis services for 菜蓟素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.