4-Bromo-2-fluorophenylisocyanide
TL;DR: 4-Bromo-2-fluorophenylisocyanide (CAS 730964-93-9) is a chemical compound with molecular formula C7H3BrFN and molecular weight 198.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-2-fluoro-1-isocyanobenzene
Also Known As: 4-Bromo-2-fluorophenylisocyanide, 4-bromo-2-fluoro-1-isocyanobenzene, 4-bromo-2-fluorphenylisocyanide, 4-bromo-2-fluoro-1-isocyano-benzene, 4-Bromo-2-fluorophenyl isocyanide
| Molecular Formula | C7H3BrFN |
|---|---|
| Molecular Weight | 198.94 g/mol |
| LogP | 3.13899 |
| Topological Polar Surface Area | 4.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 198.94328 |
| Heavy Atoms | 10 |
| Complexity | 290.14786 |
Chemical Identifiers
| CAS Number | 730964-93-9 |
|---|---|
| SMILES | [C-]#[N+]C1=C(C=C(C=C1)Br)F |
Product Overview
4-Bromo-2-fluorophenylisocyanide (CAS 730964-93-9), with molecular formula C7H3BrFN and molecular weight 198.94 g/mol. IUPAC: 4-bromo-2-fluoro-1-isocyanobenzene.
Chemical Property Profile of 4-Bromo-2-fluorophenylisocyanide
Property Insights of 4-Bromo-2-fluorophenylisocyanide
The XLogP value of 3.13899 indicates that 4-Bromo-2-fluorophenylisocyanide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 4.36 Ų, 4-Bromo-2-fluorophenylisocyanide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-2-fluorophenylisocyanide has 0 hydrogen bond donor(s) and 0 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-fluorophenylisocyanide?
The CAS number of 4-Bromo-2-fluorophenylisocyanide is 730964-93-9.
What is the molecular formula of 4-Bromo-2-fluorophenylisocyanide?
The molecular formula of 4-Bromo-2-fluorophenylisocyanide is C7H3BrFN.
What is the molecular weight of 4-Bromo-2-fluorophenylisocyanide?
The molecular weight of 4-Bromo-2-fluorophenylisocyanide is 198.94 g/mol.
Where can I buy 4-Bromo-2-fluorophenylisocyanide?
You can request a quote for 4-Bromo-2-fluorophenylisocyanide 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-fluorophenylisocyanide?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-2-fluorophenylisocyanide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.