5-Bromo-2-fluorobenzylisocyanide
TL;DR: 5-Bromo-2-fluorobenzylisocyanide (CAS 730964-48-4) 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-bromo-1-fluoro-2-(isocyanomethyl)benzene
Also Known As: 5-Bromo-2-fluorobenzylisocyanide, 4-bromo-1-fluoro-2-(isocyanomethyl)benzene, 4-(3-Carboxyphenyl)piperidine
| Molecular Formula | C8H5BrFN |
|---|---|
| Molecular Weight | 212.96 g/mol |
| LogP | 3.00749 |
| Topological Polar Surface Area | 4.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 212.95894 |
| Heavy Atoms | 11 |
| Complexity | 303.45062 |
Chemical Identifiers
| CAS Number | 730964-48-4 |
|---|---|
| SMILES | [C-]#[N+]CC1=C(C=CC(=C1)Br)F |
Product Overview
5-Bromo-2-fluorobenzylisocyanide (CAS 730964-48-4), with molecular formula C8H5BrFN and molecular weight 212.96 g/mol. IUPAC: 4-bromo-1-fluoro-2-(isocyanomethyl)benzene.
Chemical Property Profile of 5-Bromo-2-fluorobenzylisocyanide
Property Insights of 5-Bromo-2-fluorobenzylisocyanide
The XLogP value of 3.00749 indicates that 5-Bromo-2-fluorobenzylisocyanide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 4.36 Ų, 5-Bromo-2-fluorobenzylisocyanide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromo-2-fluorobenzylisocyanide 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 5-Bromo-2-fluorobenzylisocyanide?
The CAS number of 5-Bromo-2-fluorobenzylisocyanide is 730964-48-4.
What is the molecular formula of 5-Bromo-2-fluorobenzylisocyanide?
The molecular formula of 5-Bromo-2-fluorobenzylisocyanide is C8H5BrFN.
What is the molecular weight of 5-Bromo-2-fluorobenzylisocyanide?
The molecular weight of 5-Bromo-2-fluorobenzylisocyanide is 212.96 g/mol.
Where can I buy 5-Bromo-2-fluorobenzylisocyanide?
You can request a quote for 5-Bromo-2-fluorobenzylisocyanide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-2-fluorobenzylisocyanide?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-2-fluorobenzylisocyanide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.