(2E)-1-(2-HYDROXY-5-METHYLPHENYL)-3-(2,3,4,5-TETRAHYDRO-1,6-BENZODIOXOCIN-8-YL)PROP-2-EN-1-ONE
TL;DR: (2E)-1-(2-HYDROXY-5-METHYLPHENYL)-3-(2,3,4,5-TETRAHYDRO-1,6-BENZODIOXOCIN-8-YL)PROP-2-EN-1-ONE (CAS 170709-02-1) is a chemical compound with molecular formula C20H20O4 and molecular weight 324.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-(2-hydroxy-5-methylphenyl)-3-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)prop-2-en-1-one
Also Known As: (2E)-1-(2-HYDROXY-5-METHYLPHENYL)-3-(2,3,4,5-TETRAHYDRO-1,6-BENZODIOXOCIN-8-YL)PROP-2-EN-1-ONE, (E)-1-(2-hydroxy-5-methylphenyl)-3-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)prop-2-en-1-one, (E)-1-(2-hydroxy-5-methylphenyl)-3-(2,3,4,5-tetrahydrobenzo[b][1,4]dioxocin-8-yl)prop-2-en-1-one, 1-(2-HO-5-METHYL-PHENYL)-3-(2,3,4,5-TETRAHYDRO-BENZO(B)DIOXOCIN-8-YL)-PROPENONE
| Molecular Formula | C20H20O4 |
|---|---|
| Molecular Weight | 324.14 g/mol |
| LogP | 4.14812 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.13617 |
| Heavy Atoms | 24 |
| Complexity | 777.2035 |
Chemical Identifiers
| CAS Number | 170709-02-1 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)O)C(=O)/C=C/C2=CC3=C(C=C2)OCCCCO3 |
Product Overview
(2E)-1-(2-HYDROXY-5-METHYLPHENYL)-3-(2,3,4,5-TETRAHYDRO-1,6-BENZODIOXOCIN-8-YL)PROP-2-EN-1-ONE (CAS 170709-02-1), with molecular formula C20H20O4 and molecular weight 324.14 g/mol. IUPAC: (E)-1-(2-hydroxy-5-methylphenyl)-3-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)prop-2-en-1-one.
Chemical Property Profile of (2E)-1-(2-HYDROXY-5-METHYLPHENYL)-3-(2,3,4,5-TETRAHYDRO-1,6-BENZODIOXOCIN-8-YL)PROP-2-EN-1-ONE
Property Insights of (2E)-1-(2-HYDROXY-5-METHYLPHENYL)-3-(2,3,4,5-TETRAHYDRO-1,6-BENZODIOXOCIN-8-YL)PROP-2-EN-1-ONE
The XLogP value of 4.14812 indicates that (2E)-1-(2-HYDROXY-5-METHYLPHENYL)-3-(2,3,4,5-TETRAHYDRO-1,6-BENZODIOXOCIN-8-YL)PROP-2-EN-1-ONE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.76 Ų, (2E)-1-(2-HYDROXY-5-METHYLPHENYL)-3-(2,3,4,5-TETRAHYDRO-1,6-BENZODIOXOCIN-8-YL)PROP-2-EN-1-ONE exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-1-(2-HYDROXY-5-METHYLPHENYL)-3-(2,3,4,5-TETRAHYDRO-1,6-BENZODIOXOCIN-8-YL)PROP-2-EN-1-ONE has 1 hydrogen bond donor(s) and 4 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 (2E)-1-(2-HYDROXY-5-METHYLPHENYL)-3-(2,3,4,5-TETRAHYDRO-1,6-BENZODIOXOCIN-8-YL)PROP-2-EN-1-ONE?
The CAS number of (2E)-1-(2-HYDROXY-5-METHYLPHENYL)-3-(2,3,4,5-TETRAHYDRO-1,6-BENZODIOXOCIN-8-YL)PROP-2-EN-1-ONE is 170709-02-1.
What is the molecular formula of (2E)-1-(2-HYDROXY-5-METHYLPHENYL)-3-(2,3,4,5-TETRAHYDRO-1,6-BENZODIOXOCIN-8-YL)PROP-2-EN-1-ONE?
The molecular formula of (2E)-1-(2-HYDROXY-5-METHYLPHENYL)-3-(2,3,4,5-TETRAHYDRO-1,6-BENZODIOXOCIN-8-YL)PROP-2-EN-1-ONE is C20H20O4.
What is the molecular weight of (2E)-1-(2-HYDROXY-5-METHYLPHENYL)-3-(2,3,4,5-TETRAHYDRO-1,6-BENZODIOXOCIN-8-YL)PROP-2-EN-1-ONE?
The molecular weight of (2E)-1-(2-HYDROXY-5-METHYLPHENYL)-3-(2,3,4,5-TETRAHYDRO-1,6-BENZODIOXOCIN-8-YL)PROP-2-EN-1-ONE is 324.14 g/mol.
Where can I buy (2E)-1-(2-HYDROXY-5-METHYLPHENYL)-3-(2,3,4,5-TETRAHYDRO-1,6-BENZODIOXOCIN-8-YL)PROP-2-EN-1-ONE?
You can request a quote for (2E)-1-(2-HYDROXY-5-METHYLPHENYL)-3-(2,3,4,5-TETRAHYDRO-1,6-BENZODIOXOCIN-8-YL)PROP-2-EN-1-ONE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-1-(2-HYDROXY-5-METHYLPHENYL)-3-(2,3,4,5-TETRAHYDRO-1,6-BENZODIOXOCIN-8-YL)PROP-2-EN-1-ONE?
Yes, KEHONG BIO provides custom synthesis services for (2E)-1-(2-HYDROXY-5-METHYLPHENYL)-3-(2,3,4,5-TETRAHYDRO-1,6-BENZODIOXOCIN-8-YL)PROP-2-EN-1-ONE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.