(4-Bromo-2-formylphenoxy)acetonitrile
TL;DR: (4-Bromo-2-formylphenoxy)acetonitrile (CAS 125418-95-3) is a chemical compound with molecular formula C9H6BrNO2 and molecular weight 238.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromo-2-formylphenoxy)acetonitrile
Also Known As: (4-bromo-2-formylphenoxy)acetonitrile, 2-(4-bromo-2-formylphenoxy)acetonitrile, 2-(Cyanomethoxy)-5-bromobenzaldehyde, 2-(4-bromo-2-formyl-phenoxy)acetonitrile, 2-(4-bromo-2-formylphenoxy)ethanenitrile
| Molecular Formula | C9H6BrNO2 |
|---|---|
| Molecular Weight | 238.96 g/mol |
| LogP | 2.16398 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 238.95819 |
| Heavy Atoms | 13 |
| Complexity | 357.1226 |
Chemical Identifiers
| CAS Number | 125418-95-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1Br)C=O)OCC#N |
Product Overview
(4-Bromo-2-formylphenoxy)acetonitrile (CAS 125418-95-3), with molecular formula C9H6BrNO2 and molecular weight 238.96 g/mol. IUPAC: 2-(4-bromo-2-formylphenoxy)acetonitrile.
Chemical Property Profile of (4-Bromo-2-formylphenoxy)acetonitrile
Property Insights of (4-Bromo-2-formylphenoxy)acetonitrile
The XLogP value of 2.16398 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Bromo-2-formylphenoxy)acetonitrile. With a topological polar surface area (TPSA) of 50.09 Ų, (4-Bromo-2-formylphenoxy)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Bromo-2-formylphenoxy)acetonitrile 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 (4-Bromo-2-formylphenoxy)acetonitrile?
The CAS number of (4-Bromo-2-formylphenoxy)acetonitrile is 125418-95-3.
What is the molecular formula of (4-Bromo-2-formylphenoxy)acetonitrile?
The molecular formula of (4-Bromo-2-formylphenoxy)acetonitrile is C9H6BrNO2.
What is the molecular weight of (4-Bromo-2-formylphenoxy)acetonitrile?
The molecular weight of (4-Bromo-2-formylphenoxy)acetonitrile is 238.96 g/mol.
Where can I buy (4-Bromo-2-formylphenoxy)acetonitrile?
You can request a quote for (4-Bromo-2-formylphenoxy)acetonitrile 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-formylphenoxy)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (4-Bromo-2-formylphenoxy)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.