![3-Bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]benzonitrile structure](/static/products/830/830350-63-5.png)
3-Bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]benzonitrile
TL;DR: 3-Bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]benzonitrile (CAS 830350-63-5) is a chemical compound with molecular formula C16H13BrFNO2 and molecular weight 349.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]benzonitrile
Also Known As: 3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]benzonitrile
| Molecular Formula | C16H13BrFNO2 |
|---|---|
| Molecular Weight | 349.01 g/mol |
| LogP | 4.43758 |
| Topological Polar Surface Area | 42.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 349.01138 |
| Heavy Atoms | 21 |
| Complexity | 682.4626 |
Chemical Identifiers
| CAS Number | 830350-63-5 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)C#N)Br)OCC2=CC=CC=C2F |
Product Overview
3-Bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]benzonitrile (CAS 830350-63-5), with molecular formula C16H13BrFNO2 and molecular weight 349.01 g/mol. IUPAC: 3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]benzonitrile.
Chemical Property Profile of 3-Bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]benzonitrile
Property Insights of 3-Bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]benzonitrile
The XLogP value of 4.43758 indicates that 3-Bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.25 Ų, 3-Bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]benzonitrile has 0 hydrogen bond donor(s) and 3 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-Bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]benzonitrile?
The CAS number of 3-Bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]benzonitrile is 830350-63-5.
What is the molecular formula of 3-Bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]benzonitrile?
The molecular formula of 3-Bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]benzonitrile is C16H13BrFNO2.
What is the molecular weight of 3-Bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]benzonitrile?
The molecular weight of 3-Bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]benzonitrile is 349.01 g/mol.
Where can I buy 3-Bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]benzonitrile?
You can request a quote for 3-Bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.