![3-(3-Bromo-5-ethoxy-4-hydroxybenzylidene)-1,5-dioxaspiro[5.5]undecane-2,4-dione structure](/static/products/4454/445422-40-2.webp)
3-(3-Bromo-5-ethoxy-4-hydroxybenzylidene)-1,5-dioxaspiro[5.5]undecane-2,4-dione
TL;DR: 3-(3-Bromo-5-ethoxy-4-hydroxybenzylidene)-1,5-dioxaspiro[5.5]undecane-2,4-dione (CAS 445422-40-2) is a chemical compound with molecular formula C18H19BrO6 and molecular weight 410.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione
Also Known As: 3-(3-bromo-5-ethoxy-4-hydroxybenzylidene)-1,5-dioxaspiro[5.5]undecane-2,4-dione, AN-648/15241333, 3-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione, 9-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-7,11-dioxaspiro[5.5]undecane-8,10-dione
| Molecular Formula | C18H19BrO6 |
|---|---|
| Molecular Weight | 410.04 g/mol |
| LogP | 3.6972 |
| Topological Polar Surface Area | 82.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 410.0365 |
| Heavy Atoms | 25 |
| Complexity | 711.32697 |
Chemical Identifiers
| CAS Number | 445422-40-2 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)C=C2C(=O)OC3(CCCCC3)OC2=O)Br)O |
Product Overview
3-(3-Bromo-5-ethoxy-4-hydroxybenzylidene)-1,5-dioxaspiro[5.5]undecane-2,4-dione (CAS 445422-40-2), with molecular formula C18H19BrO6 and molecular weight 410.04 g/mol. IUPAC: 3-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione.
Chemical Property Profile of 3-(3-Bromo-5-ethoxy-4-hydroxybenzylidene)-1,5-dioxaspiro[5.5]undecane-2,4-dione
Property Insights of 3-(3-Bromo-5-ethoxy-4-hydroxybenzylidene)-1,5-dioxaspiro[5.5]undecane-2,4-dione
The XLogP value of 3.6972 indicates that 3-(3-Bromo-5-ethoxy-4-hydroxybenzylidene)-1,5-dioxaspiro[5.5]undecane-2,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Bromo-5-ethoxy-4-hydroxybenzylidene)-1,5-dioxaspiro[5.5]undecane-2,4-dione. Following Lipinski's Rule of Five, 3-(3-Bromo-5-ethoxy-4-hydroxybenzylidene)-1,5-dioxaspiro[5.5]undecane-2,4-dione has 1 hydrogen bond donor(s) and 6 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-(3-Bromo-5-ethoxy-4-hydroxybenzylidene)-1,5-dioxaspiro[5.5]undecane-2,4-dione?
The CAS number of 3-(3-Bromo-5-ethoxy-4-hydroxybenzylidene)-1,5-dioxaspiro[5.5]undecane-2,4-dione is 445422-40-2.
What is the molecular formula of 3-(3-Bromo-5-ethoxy-4-hydroxybenzylidene)-1,5-dioxaspiro[5.5]undecane-2,4-dione?
The molecular formula of 3-(3-Bromo-5-ethoxy-4-hydroxybenzylidene)-1,5-dioxaspiro[5.5]undecane-2,4-dione is C18H19BrO6.
What is the molecular weight of 3-(3-Bromo-5-ethoxy-4-hydroxybenzylidene)-1,5-dioxaspiro[5.5]undecane-2,4-dione?
The molecular weight of 3-(3-Bromo-5-ethoxy-4-hydroxybenzylidene)-1,5-dioxaspiro[5.5]undecane-2,4-dione is 410.04 g/mol.
Where can I buy 3-(3-Bromo-5-ethoxy-4-hydroxybenzylidene)-1,5-dioxaspiro[5.5]undecane-2,4-dione?
You can request a quote for 3-(3-Bromo-5-ethoxy-4-hydroxybenzylidene)-1,5-dioxaspiro[5.5]undecane-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Bromo-5-ethoxy-4-hydroxybenzylidene)-1,5-dioxaspiro[5.5]undecane-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Bromo-5-ethoxy-4-hydroxybenzylidene)-1,5-dioxaspiro[5.5]undecane-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.