4-Hexyloxyacetophenone
TL;DR: 4-Hexyloxyacetophenone (CAS 326876-40-8) is a chemical compound with molecular formula C35H32O6 and molecular weight 548.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)-4-(2-methylphenyl)-4H-chromen-3-yl]prop-2-en-1-one
Also Known As: 4-Hexyloxyacetophenone, 4'-hexyloxyacetophenone, BAS 00834900, (E)-1-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)-4-(2-methylphenyl)-4H-chromen-3-yl]prop-2-en-1-one, (E)-1-(3,4-dimethoxyphenyl)-3-(2-(3,4-dimethoxyphenyl)-4-(o-tolyl)-4H-chromen-3-yl)prop-2-en-1-one
| Molecular Formula | C35H32O6 |
|---|---|
| Molecular Weight | 548.22 g/mol |
| LogP | 7.40412 |
| Topological Polar Surface Area | 63.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 548.2199 |
| Heavy Atoms | 41 |
| Complexity | 1648.494 |
Chemical Identifiers
| CAS Number | 326876-40-8 |
|---|---|
| SMILES | CC1=CC=CC=C1C2C3=CC=CC=C3OC(=C2/C=C/C(=O)C4=CC(=C(C=C4)OC)OC)C5=CC(=C(C=C5)OC)OC |
Product Overview
4-Hexyloxyacetophenone (CAS 326876-40-8), with molecular formula C35H32O6 and molecular weight 548.22 g/mol. IUPAC: (E)-1-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)-4-(2-methylphenyl)-4H-chromen-3-yl]prop-2-en-1-one.
Chemical Property Profile of 4-Hexyloxyacetophenone
Property Insights of 4-Hexyloxyacetophenone
The XLogP value of 7.40412 indicates that 4-Hexyloxyacetophenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Hexyloxyacetophenone. Following Lipinski's Rule of Five, 4-Hexyloxyacetophenone has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Hexyloxyacetophenone?
The CAS number of 4-Hexyloxyacetophenone is 326876-40-8.
What is the molecular formula of 4-Hexyloxyacetophenone?
The molecular formula of 4-Hexyloxyacetophenone is C35H32O6.
What is the molecular weight of 4-Hexyloxyacetophenone?
The molecular weight of 4-Hexyloxyacetophenone is 548.22 g/mol.
Where can I buy 4-Hexyloxyacetophenone?
You can request a quote for 4-Hexyloxyacetophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hexyloxyacetophenone?
Yes, KEHONG BIO provides custom synthesis services for 4-Hexyloxyacetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.