![4-bromo-2-[6-(4-ethylphenyl)-2-(3-fluorophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol structure](/static/products/6776/6776-36-9.webp)
4-bromo-2-[6-(4-ethylphenyl)-2-(3-fluorophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol
TL;DR: 4-bromo-2-[6-(4-ethylphenyl)-2-(3-fluorophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol (CAS 6776-36-9) is a chemical compound with molecular formula C24H23BrFN2O+ and molecular weight 453.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-2-[6-(4-ethylphenyl)-2-(3-fluorophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol
Also Known As: 4-bromo-2-[6-(4-ethylphenyl)-2-(3-fluorophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol, 4-bromo-2-[4-(4-ethylphenyl)-2-(3-fluorophenyl)-3,6-dihydro-2H-pyrimidin-6-yl]phenol, 6-(5-Bromo-2-hydroxyphenyl)-4-(4-ethylphenyl)-2-(3-fluorophenyl)-1,2,3,6-tetrahydropyrimidin-1-ium
| Molecular Formula | C24H23BrFN2O+ |
|---|---|
| Molecular Weight | 453.10 g/mol |
| LogP | 4.8038 |
| Topological Polar Surface Area | 48.87 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 453.09778 |
| Heavy Atoms | 29 |
| Complexity | 1049.0012 |
Chemical Identifiers
| CAS Number | 6776-36-9 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)C2=CC([NH2+]C(N2)C3=CC(=CC=C3)F)C4=C(C=CC(=C4)Br)O |
Product Overview
4-bromo-2-[6-(4-ethylphenyl)-2-(3-fluorophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol (CAS 6776-36-9), with molecular formula C24H23BrFN2O+ and molecular weight 453.10 g/mol. IUPAC: 4-bromo-2-[6-(4-ethylphenyl)-2-(3-fluorophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol.
Chemical Property Profile of 4-bromo-2-[6-(4-ethylphenyl)-2-(3-fluorophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol
Property Insights of 4-bromo-2-[6-(4-ethylphenyl)-2-(3-fluorophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol
The XLogP value of 4.8038 indicates that 4-bromo-2-[6-(4-ethylphenyl)-2-(3-fluorophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.87 Ų, 4-bromo-2-[6-(4-ethylphenyl)-2-(3-fluorophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-bromo-2-[6-(4-ethylphenyl)-2-(3-fluorophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol has 3 hydrogen bond donor(s) and 2 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 4-bromo-2-[6-(4-ethylphenyl)-2-(3-fluorophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol?
The CAS number of 4-bromo-2-[6-(4-ethylphenyl)-2-(3-fluorophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol is 6776-36-9.
What is the molecular formula of 4-bromo-2-[6-(4-ethylphenyl)-2-(3-fluorophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol?
The molecular formula of 4-bromo-2-[6-(4-ethylphenyl)-2-(3-fluorophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol is C24H23BrFN2O+.
What is the molecular weight of 4-bromo-2-[6-(4-ethylphenyl)-2-(3-fluorophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol?
The molecular weight of 4-bromo-2-[6-(4-ethylphenyl)-2-(3-fluorophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol is 453.10 g/mol.
Where can I buy 4-bromo-2-[6-(4-ethylphenyl)-2-(3-fluorophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol?
You can request a quote for 4-bromo-2-[6-(4-ethylphenyl)-2-(3-fluorophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-bromo-2-[6-(4-ethylphenyl)-2-(3-fluorophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol?
Yes, KEHONG BIO provides custom synthesis services for 4-bromo-2-[6-(4-ethylphenyl)-2-(3-fluorophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.