2-(4-Bromo-2,6-difluorophenyl)acetonitrile
TL;DR: 2-(4-Bromo-2,6-difluorophenyl)acetonitrile (CAS 537033-52-6) is a chemical compound with molecular formula C8H4BrF2N and molecular weight 230.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromo-2,6-difluorophenyl)acetonitrile
Also Known As: 2-(4-bromo-2,6-difluorophenyl)acetonitrile, 4-Bromo-2,6-difluorophenylacetonitrile, 7667AB, 4-Bromo-2,6-difluorobenzeneacetonitrile, (4-Bromo-2,6-difluorophenyl)acetonitrile
| Molecular Formula | C8H4BrF2N |
|---|---|
| Molecular Weight | 230.95 g/mol |
| LogP | 2.79338 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 230.94952 |
| Heavy Atoms | 12 |
| Complexity | 320.39648 |
Chemical Identifiers
| CAS Number | 537033-52-6 |
|---|---|
| SMILES | C1=C(C=C(C(=C1F)CC#N)F)Br |
Product Overview
2-(4-Bromo-2,6-difluorophenyl)acetonitrile (CAS 537033-52-6), with molecular formula C8H4BrF2N and molecular weight 230.95 g/mol. IUPAC: 2-(4-bromo-2,6-difluorophenyl)acetonitrile.
Chemical Property Profile of 2-(4-Bromo-2,6-difluorophenyl)acetonitrile
Property Insights of 2-(4-Bromo-2,6-difluorophenyl)acetonitrile
The XLogP value of 2.79338 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Bromo-2,6-difluorophenyl)acetonitrile. With a topological polar surface area (TPSA) of 23.79 Ų, 2-(4-Bromo-2,6-difluorophenyl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Bromo-2,6-difluorophenyl)acetonitrile 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 2-(4-Bromo-2,6-difluorophenyl)acetonitrile?
The CAS number of 2-(4-Bromo-2,6-difluorophenyl)acetonitrile is 537033-52-6.
What is the molecular formula of 2-(4-Bromo-2,6-difluorophenyl)acetonitrile?
The molecular formula of 2-(4-Bromo-2,6-difluorophenyl)acetonitrile is C8H4BrF2N.
What is the molecular weight of 2-(4-Bromo-2,6-difluorophenyl)acetonitrile?
The molecular weight of 2-(4-Bromo-2,6-difluorophenyl)acetonitrile is 230.95 g/mol.
Where can I buy 2-(4-Bromo-2,6-difluorophenyl)acetonitrile?
You can request a quote for 2-(4-Bromo-2,6-difluorophenyl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Bromo-2,6-difluorophenyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Bromo-2,6-difluorophenyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.