2-Propen-1-one,3-(1,3-benzodioxol-5-yl)-1-(2-hydroxy-4-methoxyphenyl)-
TL;DR: 2-Propen-1-one,3-(1,3-benzodioxol-5-yl)-1-(2-hydroxy-4-methoxyphenyl)- (CAS 36685-65-1) is a chemical compound with molecular formula C17H14O5 and molecular weight 298.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-yl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one
Also Known As: 2-Propen-1-one,3-(1,3-benzodioxol-5-yl)-1-(2-hydroxy-4-methoxyphenyl)-, (E)-3-(1,3-benzodioxol-5-yl)-1-(2-hydroxy-4-methoxyphenyl)pr, 3-(1,3-benzodioxol-5-yl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one
| Molecular Formula | C17H14O5 |
|---|---|
| Molecular Weight | 298.08 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 65.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 298.08414 |
| Heavy Atoms | 22 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 36685-65-1 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)C(=O)C=CC2=CC3=C(C=C2)OCO3)O |
| InChIKey | VZZSETBKCYRDTI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Propen-1-one,3-(1,3-benzodioxol-5-yl)-1-(2-hydroxy-4-methoxyphenyl)- (CAS 36685-65-1), with molecular formula C17H14O5 and molecular weight 298.08 g/mol. IUPAC: 3-(1,3-benzodioxol-5-yl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one.
Chemical Property Profile of 2-Propen-1-one,3-(1,3-benzodioxol-5-yl)-1-(2-hydroxy-4-methoxyphenyl)-
Property Insights of 2-Propen-1-one,3-(1,3-benzodioxol-5-yl)-1-(2-hydroxy-4-methoxyphenyl)-
The XLogP value of 3.7 indicates that 2-Propen-1-one,3-(1,3-benzodioxol-5-yl)-1-(2-hydroxy-4-methoxyphenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propen-1-one,3-(1,3-benzodioxol-5-yl)-1-(2-hydroxy-4-methoxyphenyl)-. Following Lipinski's Rule of Five, 2-Propen-1-one,3-(1,3-benzodioxol-5-yl)-1-(2-hydroxy-4-methoxyphenyl)- has 1 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 2-Propen-1-one,3-(1,3-benzodioxol-5-yl)-1-(2-hydroxy-4-methoxyphenyl)-?
The CAS number of 2-Propen-1-one,3-(1,3-benzodioxol-5-yl)-1-(2-hydroxy-4-methoxyphenyl)- is 36685-65-1.
What is the molecular formula of 2-Propen-1-one,3-(1,3-benzodioxol-5-yl)-1-(2-hydroxy-4-methoxyphenyl)-?
The molecular formula of 2-Propen-1-one,3-(1,3-benzodioxol-5-yl)-1-(2-hydroxy-4-methoxyphenyl)- is C17H14O5.
What is the molecular weight of 2-Propen-1-one,3-(1,3-benzodioxol-5-yl)-1-(2-hydroxy-4-methoxyphenyl)-?
The molecular weight of 2-Propen-1-one,3-(1,3-benzodioxol-5-yl)-1-(2-hydroxy-4-methoxyphenyl)- is 298.08 g/mol.
Where can I buy 2-Propen-1-one,3-(1,3-benzodioxol-5-yl)-1-(2-hydroxy-4-methoxyphenyl)-?
You can request a quote for 2-Propen-1-one,3-(1,3-benzodioxol-5-yl)-1-(2-hydroxy-4-methoxyphenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propen-1-one,3-(1,3-benzodioxol-5-yl)-1-(2-hydroxy-4-methoxyphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propen-1-one,3-(1,3-benzodioxol-5-yl)-1-(2-hydroxy-4-methoxyphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.