Cimicifugic acid E
TL;DR: Cimicifugic acid E (CAS 219986-67-1) is a chemical compound with molecular formula C21H20O10 and molecular weight 432.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S)-2-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-2-[(4-hydroxyphenyl)methyl]butanedioic acid
Also Known As: Cimicifugic acid E, 2-E-Feruloylpiscidic acid, 2-Feruloylpiscidic acid, 2-feruloyl piscidic acid, CIMICIFUGIC ACID E, (+)-
| Molecular Formula | C21H20O10 |
|---|---|
| Molecular Weight | 432.11 g/mol |
| LogP | 1.1744 |
| Topological Polar Surface Area | 170.82 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 432.10565 |
| Heavy Atoms | 31 |
| Complexity | 995.7201 |
Chemical Identifiers
| CAS Number | 219986-67-1 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C/C(=O)O[C@H](C(=O)O)[C@](CC2=CC=C(C=C2)O)(C(=O)O)O)O |
Product Overview
Cimicifugic acid E (CAS 219986-67-1), with molecular formula C21H20O10 and molecular weight 432.11 g/mol. IUPAC: (2R,3S)-2-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-2-[(4-hydroxyphenyl)methyl]butanedioic acid.
Chemical Property Profile of Cimicifugic acid E
Property Insights of Cimicifugic acid E
The XLogP value of 1.1744 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cimicifugic acid E. The TPSA of 170.82 Ų indicates high polarity, suggesting Cimicifugic acid E may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cimicifugic acid E 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 Cimicifugic acid E?
The CAS number of Cimicifugic acid E is 219986-67-1.
What is the molecular formula of Cimicifugic acid E?
The molecular formula of Cimicifugic acid E is C21H20O10.
What is the molecular weight of Cimicifugic acid E?
The molecular weight of Cimicifugic acid E is 432.11 g/mol.
Where can I buy Cimicifugic acid E?
You can request a quote for Cimicifugic acid E directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cimicifugic acid E?
Yes, KEHONG BIO provides custom synthesis services for Cimicifugic acid E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.