Futoquinol
TL;DR: Futoquinol (CAS 28178-92-9) is a chemical compound with molecular formula C21H22O5 and molecular weight 354.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[1-(1,3-benzodioxol-5-yl)prop-1-en-2-yl]-4,5-dimethoxy-2-prop-2-enylcyclohexa-2,5-dien-1-one
Also Known As: Futoquinol, 4-[(E)-1-(1,3-benzodioxol-5-yl)prop-1-en-2-yl]-4,5-dimethoxy-2-prop-2-enylcyclohexa-2,5-dien-1-one, (4S)-4-[(E)-2-(1,3-Benzodioxol-5-yl)-1-methylethenyl]-4,5-dimethoxy-2-(2-propenyl)-2,5-cyclohexadien-1-one, 4-[1-(1,3-benzodioxol-5-yl)prop-1-en-2-yl]-4,5-dimethoxy-2-prop-2-enylcyclohexa-2,5-dien-1-one
| Molecular Formula | C21H22O5 |
|---|---|
| Molecular Weight | 354.15 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 354.14673 |
| Heavy Atoms | 26 |
| Complexity | 659.0 |
Chemical Identifiers
| CAS Number | 28178-92-9 |
|---|---|
| SMILES | CC(=CC1=CC2=C(C=C1)OCO2)C3(C=C(C(=O)C=C3OC)CC=C)OC |
| InChIKey | AOZTYYBGNNXAOI-UHFFFAOYSA-N |
Product Overview
Futoquinol (CAS 28178-92-9), with molecular formula C21H22O5 and molecular weight 354.15 g/mol. IUPAC: 4-[1-(1,3-benzodioxol-5-yl)prop-1-en-2-yl]-4,5-dimethoxy-2-prop-2-enylcyclohexa-2,5-dien-1-one.
Chemical Property Profile of Futoquinol
Property Insights of Futoquinol
The XLogP value of 3.9 indicates that Futoquinol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.0 Ų, Futoquinol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Futoquinol has 0 hydrogen bond donor(s) and 5 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 Futoquinol?
The CAS number of Futoquinol is 28178-92-9.
What is the molecular formula of Futoquinol?
The molecular formula of Futoquinol is C21H22O5.
What is the molecular weight of Futoquinol?
The molecular weight of Futoquinol is 354.15 g/mol.
Where can I buy Futoquinol?
You can request a quote for Futoquinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Futoquinol?
Yes, KEHONG BIO provides custom synthesis services for Futoquinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.