3,4,5-Trimethoxy-4'-fluorochalcone
TL;DR: 3,4,5-Trimethoxy-4'-fluorochalcone (CAS 105686-90-6) is a chemical compound with molecular formula C18H17FO4 and molecular weight 316.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
Also Known As: (Z)-dec-6-enal, MixCom6_002242, NCIOpen2_009711, 1-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one, 3,4,5-trimethoxy-4'-fluorochalcone
| Molecular Formula | C18H17FO4 |
|---|---|
| Molecular Weight | 316.11 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 316.11108 |
| Heavy Atoms | 23 |
| Complexity | 390.0 |
Chemical Identifiers
| CAS Number | 105686-90-6 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C=CC(=O)C2=CC=C(C=C2)F |
| InChIKey | WXPAWDMWSJYTRJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4,5-Trimethoxy-4'-fluorochalcone (CAS 105686-90-6), with molecular formula C18H17FO4 and molecular weight 316.11 g/mol. IUPAC: 1-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one.
Chemical Property Profile of 3,4,5-Trimethoxy-4'-fluorochalcone
Property Insights of 3,4,5-Trimethoxy-4'-fluorochalcone
The XLogP value of 3.7 indicates that 3,4,5-Trimethoxy-4'-fluorochalcone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, 3,4,5-Trimethoxy-4'-fluorochalcone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4,5-Trimethoxy-4'-fluorochalcone 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 3,4,5-Trimethoxy-4'-fluorochalcone?
The CAS number of 3,4,5-Trimethoxy-4'-fluorochalcone is 105686-90-6.
What is the molecular formula of 3,4,5-Trimethoxy-4'-fluorochalcone?
The molecular formula of 3,4,5-Trimethoxy-4'-fluorochalcone is C18H17FO4.
What is the molecular weight of 3,4,5-Trimethoxy-4'-fluorochalcone?
The molecular weight of 3,4,5-Trimethoxy-4'-fluorochalcone is 316.11 g/mol.
Where can I buy 3,4,5-Trimethoxy-4'-fluorochalcone?
You can request a quote for 3,4,5-Trimethoxy-4'-fluorochalcone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,5-Trimethoxy-4'-fluorochalcone?
Yes, KEHONG BIO provides custom synthesis services for 3,4,5-Trimethoxy-4'-fluorochalcone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.