4-Bromo-2-fluorophenyl isocyanate
TL;DR: 4-Bromo-2-fluorophenyl isocyanate (CAS 88112-75-8) is a chemical compound with molecular formula C7H3BrFNO and molecular weight 214.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-2-fluoro-1-isocyanatobenzene
Also Known As: 4-Bromo-2-fluorophenyl isocyanate, 4-bromo-2-fluoro-1-isocyanatobenzene, 4-BROMO-2-FLUOROPHENylisoCYANATE, 4-bromo-2-fluorobenzenisocyanate, Benzene, 4-bromo-2-fluoro-1-isocyanato-
| Molecular Formula | C7H3BrFNO |
|---|---|
| Molecular Weight | 214.94 g/mol |
| LogP | 2.5555 |
| Topological Polar Surface Area | 29.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 214.9382 |
| Heavy Atoms | 11 |
| Complexity | 320.21664 |
Chemical Identifiers
| CAS Number | 88112-75-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1Br)F)N=C=O |
Product Overview
4-Bromo-2-fluorophenyl isocyanate (CAS 88112-75-8), with molecular formula C7H3BrFNO and molecular weight 214.94 g/mol. IUPAC: 4-bromo-2-fluoro-1-isocyanatobenzene.
Chemical Property Profile of 4-Bromo-2-fluorophenyl isocyanate
Property Insights of 4-Bromo-2-fluorophenyl isocyanate
The XLogP value of 2.5555 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-2-fluorophenyl isocyanate. With a topological polar surface area (TPSA) of 29.43 Ų, 4-Bromo-2-fluorophenyl isocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-2-fluorophenyl isocyanate 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 4-Bromo-2-fluorophenyl isocyanate?
The CAS number of 4-Bromo-2-fluorophenyl isocyanate is 88112-75-8.
What is the molecular formula of 4-Bromo-2-fluorophenyl isocyanate?
The molecular formula of 4-Bromo-2-fluorophenyl isocyanate is C7H3BrFNO.
What is the molecular weight of 4-Bromo-2-fluorophenyl isocyanate?
The molecular weight of 4-Bromo-2-fluorophenyl isocyanate is 214.94 g/mol.
Where can I buy 4-Bromo-2-fluorophenyl isocyanate?
You can request a quote for 4-Bromo-2-fluorophenyl isocyanate 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-fluorophenyl isocyanate?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-2-fluorophenyl isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.