(4-Bromophenoxy)acetonitrile
TL;DR: (4-Bromophenoxy)acetonitrile (CAS 39489-67-3) is a chemical compound with molecular formula C8H6BrNO and molecular weight 210.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromophenoxy)acetonitrile
Also Known As: 2-(4-bromophenoxy)acetonitrile, sodiumethoxide, (4-Bromophenoxy)acetonitrile, 4-Bromophenoxyacetonitrile, 2- ACETONITRILE
| Molecular Formula | C8H6BrNO |
|---|---|
| Molecular Weight | 210.96 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 210.96329 |
| Heavy Atoms | 11 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 39489-67-3 |
|---|---|
| SMILES | C1=CC(=CC=C1OCC#N)Br |
| InChIKey | PMDDXFGYBKIPKR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(4-Bromophenoxy)acetonitrile (CAS 39489-67-3), with molecular formula C8H6BrNO and molecular weight 210.96 g/mol. IUPAC: 2-(4-bromophenoxy)acetonitrile.
Chemical Property Profile of (4-Bromophenoxy)acetonitrile
Property Insights of (4-Bromophenoxy)acetonitrile
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Bromophenoxy)acetonitrile. With a topological polar surface area (TPSA) of 33.0 Ų, (4-Bromophenoxy)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Bromophenoxy)acetonitrile has 0 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-Bromophenoxy)acetonitrile?
The CAS number of (4-Bromophenoxy)acetonitrile is 39489-67-3.
What is the molecular formula of (4-Bromophenoxy)acetonitrile?
The molecular formula of (4-Bromophenoxy)acetonitrile is C8H6BrNO.
What is the molecular weight of (4-Bromophenoxy)acetonitrile?
The molecular weight of (4-Bromophenoxy)acetonitrile is 210.96 g/mol.
Where can I buy (4-Bromophenoxy)acetonitrile?
You can request a quote for (4-Bromophenoxy)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Bromophenoxy)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (4-Bromophenoxy)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.