![2-[6-(1,3-benzodioxol-5-yl)-2-(5-bromo-2-fluorophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-4-chlorophenol structure](/static/products/6776/6776-41-6.webp)
2-[6-(1,3-benzodioxol-5-yl)-2-(5-bromo-2-fluorophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-4-chlorophenol
TL;DR: 2-[6-(1,3-benzodioxol-5-yl)-2-(5-bromo-2-fluorophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-4-chlorophenol (CAS 6776-41-6) is a chemical compound with molecular formula C23H18BrClFN2O3+ and molecular weight 503.02 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-(5-bromo-2-fluorophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-4-chlorophenol
Also Known As: 2-[6-(1,3-benzodioxol-5-yl)-2-(5-bromo-2-fluorophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-4-chlorophenol, 4-(2H-1,3-Benzodioxol-5-yl)-2-(5-bromo-2-fluorophenyl)-6-(5-chloro-2-hydroxyphenyl)-1,2,3,6-tetrahydropyrimidin-1-ium
| Molecular Formula | C23H18BrClFN2O3+ |
|---|---|
| Molecular Weight | 503.02 g/mol |
| LogP | 4.6235 |
| Topological Polar Surface Area | 67.33 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 503.01733 |
| Heavy Atoms | 31 |
| Complexity | 1203.4342 |
Chemical Identifiers
| CAS Number | 6776-41-6 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=CC([NH2+]C(N3)C4=C(C=CC(=C4)Br)F)C5=C(C=CC(=C5)Cl)O |
Product Overview
2-[6-(1,3-benzodioxol-5-yl)-2-(5-bromo-2-fluorophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-4-chlorophenol (CAS 6776-41-6), with molecular formula C23H18BrClFN2O3+ and molecular weight 503.02 g/mol. IUPAC: 2-[6-(1,3-benzodioxol-5-yl)-2-(5-bromo-2-fluorophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-4-chlorophenol.
Chemical Property Profile of 2-[6-(1,3-benzodioxol-5-yl)-2-(5-bromo-2-fluorophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-4-chlorophenol
Property Insights of 2-[6-(1,3-benzodioxol-5-yl)-2-(5-bromo-2-fluorophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-4-chlorophenol
The XLogP value of 4.6235 indicates that 2-[6-(1,3-benzodioxol-5-yl)-2-(5-bromo-2-fluorophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-4-chlorophenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[6-(1,3-benzodioxol-5-yl)-2-(5-bromo-2-fluorophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-4-chlorophenol. Following Lipinski's Rule of Five, 2-[6-(1,3-benzodioxol-5-yl)-2-(5-bromo-2-fluorophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-4-chlorophenol has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[6-(1,3-benzodioxol-5-yl)-2-(5-bromo-2-fluorophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-4-chlorophenol?
The CAS number of 2-[6-(1,3-benzodioxol-5-yl)-2-(5-bromo-2-fluorophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-4-chlorophenol is 6776-41-6.
What is the molecular formula of 2-[6-(1,3-benzodioxol-5-yl)-2-(5-bromo-2-fluorophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-4-chlorophenol?
The molecular formula of 2-[6-(1,3-benzodioxol-5-yl)-2-(5-bromo-2-fluorophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-4-chlorophenol is C23H18BrClFN2O3+.
What is the molecular weight of 2-[6-(1,3-benzodioxol-5-yl)-2-(5-bromo-2-fluorophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-4-chlorophenol?
The molecular weight of 2-[6-(1,3-benzodioxol-5-yl)-2-(5-bromo-2-fluorophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-4-chlorophenol is 503.02 g/mol.
Where can I buy 2-[6-(1,3-benzodioxol-5-yl)-2-(5-bromo-2-fluorophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-4-chlorophenol?
You can request a quote for 2-[6-(1,3-benzodioxol-5-yl)-2-(5-bromo-2-fluorophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-4-chlorophenol 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-(5-bromo-2-fluorophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-4-chlorophenol?
Yes, KEHONG BIO provides custom synthesis services for 2-[6-(1,3-benzodioxol-5-yl)-2-(5-bromo-2-fluorophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-4-chlorophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.