4-((5-Bromopyrimidin-2-yl)oxy)benzonitrile
TL;DR: 4-((5-Bromopyrimidin-2-yl)oxy)benzonitrile (CAS 887430-98-0) is a chemical compound with molecular formula C11H6BrN3O and molecular weight 274.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5-bromopyrimidin-2-yl)oxybenzonitrile
Also Known As: 4-((5-Bromopyrimidin-2-yl)oxy)benzonitrile, 4-(5-Bromo-pyrimidin-2-yloxy)-benzonitrile, 4-(5-bromopyrimidin-2-yl)oxybenzonitrile, 4-[(5-bromopyrimidin-2-yl)oxy]benzonitrile, 4-[(5-bromo-2-pyrimidinyl)oxy]benzenecarbonitrile
| Molecular Formula | C11H6BrN3O |
|---|---|
| Molecular Weight | 274.97 g/mol |
| LogP | 2.90308 |
| Topological Polar Surface Area | 58.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 274.96942 |
| Heavy Atoms | 16 |
| Complexity | 516.4211 |
Chemical Identifiers
| CAS Number | 887430-98-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)OC2=NC=C(C=N2)Br |
Product Overview
4-((5-Bromopyrimidin-2-yl)oxy)benzonitrile (CAS 887430-98-0), with molecular formula C11H6BrN3O and molecular weight 274.97 g/mol. IUPAC: 4-(5-bromopyrimidin-2-yl)oxybenzonitrile.
Chemical Property Profile of 4-((5-Bromopyrimidin-2-yl)oxy)benzonitrile
Property Insights of 4-((5-Bromopyrimidin-2-yl)oxy)benzonitrile
The XLogP value of 2.90308 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((5-Bromopyrimidin-2-yl)oxy)benzonitrile. With a topological polar surface area (TPSA) of 58.8 Ų, 4-((5-Bromopyrimidin-2-yl)oxy)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((5-Bromopyrimidin-2-yl)oxy)benzonitrile has 0 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 4-((5-Bromopyrimidin-2-yl)oxy)benzonitrile?
The CAS number of 4-((5-Bromopyrimidin-2-yl)oxy)benzonitrile is 887430-98-0.
What is the molecular formula of 4-((5-Bromopyrimidin-2-yl)oxy)benzonitrile?
The molecular formula of 4-((5-Bromopyrimidin-2-yl)oxy)benzonitrile is C11H6BrN3O.
What is the molecular weight of 4-((5-Bromopyrimidin-2-yl)oxy)benzonitrile?
The molecular weight of 4-((5-Bromopyrimidin-2-yl)oxy)benzonitrile is 274.97 g/mol.
Where can I buy 4-((5-Bromopyrimidin-2-yl)oxy)benzonitrile?
You can request a quote for 4-((5-Bromopyrimidin-2-yl)oxy)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((5-Bromopyrimidin-2-yl)oxy)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-((5-Bromopyrimidin-2-yl)oxy)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.