Gemichalcone A
TL;DR: Gemichalcone A (CAS 189031-25-2) is a chemical compound with molecular formula C30H28O8 and molecular weight 516.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(Z)-4-[2,6-dihydroxy-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]-2-methylbut-2-enyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Also Known As: Gemichalcone A, 3'-(4-Feruloyloxy-3-methylbutyl-2(Z)-enyl)-4,2',4'-trihydroxychalcone, ((Z)-4-(2,6-dihydroxy-3-((E)-3-(4-hydroxyphenyl)prop-2-enoyl)phenyl)-2-methylbut-2-enyl) (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate, (2Z)-4-{2,6-dihydroxy-3-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl}-2-methylbut-2-en-1-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate, [(Z)-4-[2,6-dihydroxy-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]-2-methylbut-2-enyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
| Molecular Formula | C30H28O8 |
|---|---|
| Molecular Weight | 516.18 g/mol |
| LogP | 5.1591 |
| Topological Polar Surface Area | 133.52 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 516.1784 |
| Heavy Atoms | 38 |
| Complexity | 1398.4954 |
Chemical Identifiers
| CAS Number | 189031-25-2 |
|---|---|
| SMILES | C/C(=C/CC1=C(C=CC(=C1O)C(=O)/C=C/C2=CC=C(C=C2)O)O)/COC(=O)/C=C/C3=CC(=C(C=C3)O)OC |
Product Overview
Gemichalcone A (CAS 189031-25-2), with molecular formula C30H28O8 and molecular weight 516.18 g/mol. IUPAC: [(Z)-4-[2,6-dihydroxy-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]-2-methylbut-2-enyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate.
Chemical Property Profile of Gemichalcone A
Property Insights of Gemichalcone A
The XLogP value of 5.1591 indicates that Gemichalcone A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.52 Ų falls within the moderate polarity range, balancing permeability and solubility for Gemichalcone A. Following Lipinski's Rule of Five, Gemichalcone A has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Gemichalcone A?
The CAS number of Gemichalcone A is 189031-25-2.
What is the molecular formula of Gemichalcone A?
The molecular formula of Gemichalcone A is C30H28O8.
What is the molecular weight of Gemichalcone A?
The molecular weight of Gemichalcone A is 516.18 g/mol.
Where can I buy Gemichalcone A?
You can request a quote for Gemichalcone A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gemichalcone A?
Yes, KEHONG BIO provides custom synthesis services for Gemichalcone A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.