3-(4-Bromophenoxy)propanenitrile
TL;DR: 3-(4-Bromophenoxy)propanenitrile (CAS 118449-57-3) is a chemical compound with molecular formula C9H8BrNO and molecular weight 224.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-bromophenoxy)propanenitrile
Also Known As: 3-(4-bromophenoxy)propanenitrile, Propanenitrile, 3-(4-bromophenoxy)-, 3-(4-Bromophenoxy)propionitrile, 5650AJ, s10484
| Molecular Formula | C9H8BrNO |
|---|---|
| Molecular Weight | 224.98 g/mol |
| LogP | 2.74158 |
| Topological Polar Surface Area | 33.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.97893 |
| Heavy Atoms | 12 |
| Complexity | 275.57516 |
Chemical Identifiers
| CAS Number | 118449-57-3 |
|---|---|
| SMILES | C1=CC(=CC=C1OCCC#N)Br |
Product Overview
3-(4-Bromophenoxy)propanenitrile (CAS 118449-57-3), with molecular formula C9H8BrNO and molecular weight 224.98 g/mol. IUPAC: 3-(4-bromophenoxy)propanenitrile.
Chemical Property Profile of 3-(4-Bromophenoxy)propanenitrile
Property Insights of 3-(4-Bromophenoxy)propanenitrile
The XLogP value of 2.74158 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Bromophenoxy)propanenitrile. With a topological polar surface area (TPSA) of 33.02 Ų, 3-(4-Bromophenoxy)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Bromophenoxy)propanenitrile 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 3-(4-Bromophenoxy)propanenitrile?
The CAS number of 3-(4-Bromophenoxy)propanenitrile is 118449-57-3.
What is the molecular formula of 3-(4-Bromophenoxy)propanenitrile?
The molecular formula of 3-(4-Bromophenoxy)propanenitrile is C9H8BrNO.
What is the molecular weight of 3-(4-Bromophenoxy)propanenitrile?
The molecular weight of 3-(4-Bromophenoxy)propanenitrile is 224.98 g/mol.
Where can I buy 3-(4-Bromophenoxy)propanenitrile?
You can request a quote for 3-(4-Bromophenoxy)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Bromophenoxy)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Bromophenoxy)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.