![2-[6-(1,3-benzodioxol-5-yl)-2-(3-bromophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxyphenol structure](/static/products/6776/6776-44-9.webp)
2-[6-(1,3-benzodioxol-5-yl)-2-(3-bromophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxyphenol
TL;DR: 2-[6-(1,3-benzodioxol-5-yl)-2-(3-bromophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxyphenol (CAS 6776-44-9) is a chemical compound with molecular formula C25H24BrN2O4+ and molecular weight 495.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[6-(1,3-benzodioxol-5-yl)-2-(3-bromophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxyphenol
Also Known As: 2-[6-(1,3-benzodioxol-5-yl)-2-(3-bromophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxyphenol, 2-[4-benzo[1,3]dioxol-5-yl-2-(3-bromophenyl)-3,6-dihydro-2H-pyrimidin-6-yl]-6-ethoxy-phenol, 4-(2H-1,3-Benzodioxol-5-yl)-2-(3-bromophenyl)-6-(3-ethoxy-2-hydroxyphenyl)-1,2,3,6-tetrahydropyrimidin-1-ium
| Molecular Formula | C25H24BrN2O4+ |
|---|---|
| Molecular Weight | 495.09 g/mol |
| LogP | 4.2297 |
| Topological Polar Surface Area | 76.56 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 495.09195 |
| Heavy Atoms | 32 |
| Complexity | 1180.3535 |
Chemical Identifiers
| CAS Number | 6776-44-9 |
|---|---|
| SMILES | CCOC1=CC=CC(=C1O)C2C=C(NC([NH2+]2)C3=CC(=CC=C3)Br)C4=CC5=C(C=C4)OCO5 |
Product Overview
2-[6-(1,3-benzodioxol-5-yl)-2-(3-bromophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxyphenol (CAS 6776-44-9), with molecular formula C25H24BrN2O4+ and molecular weight 495.09 g/mol. IUPAC: 2-[6-(1,3-benzodioxol-5-yl)-2-(3-bromophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxyphenol.
Chemical Property Profile of 2-[6-(1,3-benzodioxol-5-yl)-2-(3-bromophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxyphenol
Property Insights of 2-[6-(1,3-benzodioxol-5-yl)-2-(3-bromophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxyphenol
The XLogP value of 4.2297 indicates that 2-[6-(1,3-benzodioxol-5-yl)-2-(3-bromophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxyphenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[6-(1,3-benzodioxol-5-yl)-2-(3-bromophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxyphenol. Following Lipinski's Rule of Five, 2-[6-(1,3-benzodioxol-5-yl)-2-(3-bromophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxyphenol has 3 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-[6-(1,3-benzodioxol-5-yl)-2-(3-bromophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxyphenol?
The CAS number of 2-[6-(1,3-benzodioxol-5-yl)-2-(3-bromophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxyphenol is 6776-44-9.
What is the molecular formula of 2-[6-(1,3-benzodioxol-5-yl)-2-(3-bromophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxyphenol?
The molecular formula of 2-[6-(1,3-benzodioxol-5-yl)-2-(3-bromophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxyphenol is C25H24BrN2O4+.
What is the molecular weight of 2-[6-(1,3-benzodioxol-5-yl)-2-(3-bromophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxyphenol?
The molecular weight of 2-[6-(1,3-benzodioxol-5-yl)-2-(3-bromophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxyphenol is 495.09 g/mol.
Where can I buy 2-[6-(1,3-benzodioxol-5-yl)-2-(3-bromophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxyphenol?
You can request a quote for 2-[6-(1,3-benzodioxol-5-yl)-2-(3-bromophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxyphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[6-(1,3-benzodioxol-5-yl)-2-(3-bromophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxyphenol?
Yes, KEHONG BIO provides custom synthesis services for 2-[6-(1,3-benzodioxol-5-yl)-2-(3-bromophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxyphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.