4-Cyano-3-fluorobenzyl bromide
TL;DR: 4-Cyano-3-fluorobenzyl bromide (CAS 222978-03-2) is a chemical compound with molecular formula C8H5BrFN and molecular weight 212.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(bromomethyl)-2-fluorobenzonitrile
Also Known As: 4-(bromomethyl)-2-fluorobenzonitrile, 4-Cyano-3-fluorobenzyl bromide, 4-bromomethyl-2-fluoro-benzonitrile, Trelagliptin Impurity 9, 4-Bromomethyl-2-fluorobenzonitrile
| Molecular Formula | C8H5BrFN |
|---|---|
| Molecular Weight | 212.96 g/mol |
| LogP | 2.59228 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 212.95894 |
| Heavy Atoms | 11 |
| Complexity | 303.45062 |
Chemical Identifiers
| CAS Number | 222978-03-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1CBr)F)C#N |
Product Overview
4-Cyano-3-fluorobenzyl bromide (CAS 222978-03-2), with molecular formula C8H5BrFN and molecular weight 212.96 g/mol. IUPAC: 4-(bromomethyl)-2-fluorobenzonitrile.
Chemical Property Profile of 4-Cyano-3-fluorobenzyl bromide
Property Insights of 4-Cyano-3-fluorobenzyl bromide
The XLogP value of 2.59228 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Cyano-3-fluorobenzyl bromide. With a topological polar surface area (TPSA) of 23.79 Ų, 4-Cyano-3-fluorobenzyl bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Cyano-3-fluorobenzyl bromide has 0 hydrogen bond donor(s) and 1 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-Cyano-3-fluorobenzyl bromide?
The CAS number of 4-Cyano-3-fluorobenzyl bromide is 222978-03-2.
What is the molecular formula of 4-Cyano-3-fluorobenzyl bromide?
The molecular formula of 4-Cyano-3-fluorobenzyl bromide is C8H5BrFN.
What is the molecular weight of 4-Cyano-3-fluorobenzyl bromide?
The molecular weight of 4-Cyano-3-fluorobenzyl bromide is 212.96 g/mol.
Where can I buy 4-Cyano-3-fluorobenzyl bromide?
You can request a quote for 4-Cyano-3-fluorobenzyl bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Cyano-3-fluorobenzyl bromide?
Yes, KEHONG BIO provides custom synthesis services for 4-Cyano-3-fluorobenzyl bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.