2-Bromo-4,6-difluorophenyl isocyanate
TL;DR: 2-Bromo-4,6-difluorophenyl isocyanate (CAS 190774-48-2) is a chemical compound with molecular formula C7H2BrF2NO and molecular weight 232.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-3,5-difluoro-2-isocyanatobenzene
Also Known As: 2-Bromo-4,6-difluorophenyl isocyanate, 1-bromo-3,5-difluoro-2-isocyanatobenzene, 2-bromo-4,6-difluorophenylisocyanate, 2-bromo-4,6-difluorobenzenisocyanate, 1-bromo-3,5-difluoro-2-isocyanato-benzene
| Molecular Formula | C7H2BrF2NO |
|---|---|
| Molecular Weight | 232.93 g/mol |
| LogP | 2.6946 |
| Topological Polar Surface Area | 29.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 232.92879 |
| Heavy Atoms | 12 |
| Complexity | 337.41916 |
Chemical Identifiers
| CAS Number | 190774-48-2 |
|---|---|
| SMILES | C1=C(C=C(C(=C1F)N=C=O)Br)F |
Product Overview
2-Bromo-4,6-difluorophenyl isocyanate (CAS 190774-48-2), with molecular formula C7H2BrF2NO and molecular weight 232.93 g/mol. IUPAC: 1-bromo-3,5-difluoro-2-isocyanatobenzene.
Chemical Property Profile of 2-Bromo-4,6-difluorophenyl isocyanate
Property Insights of 2-Bromo-4,6-difluorophenyl isocyanate
The XLogP value of 2.6946 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-4,6-difluorophenyl isocyanate. With a topological polar surface area (TPSA) of 29.43 Ų, 2-Bromo-4,6-difluorophenyl isocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-4,6-difluorophenyl 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 2-Bromo-4,6-difluorophenyl isocyanate?
The CAS number of 2-Bromo-4,6-difluorophenyl isocyanate is 190774-48-2.
What is the molecular formula of 2-Bromo-4,6-difluorophenyl isocyanate?
The molecular formula of 2-Bromo-4,6-difluorophenyl isocyanate is C7H2BrF2NO.
What is the molecular weight of 2-Bromo-4,6-difluorophenyl isocyanate?
The molecular weight of 2-Bromo-4,6-difluorophenyl isocyanate is 232.93 g/mol.
Where can I buy 2-Bromo-4,6-difluorophenyl isocyanate?
You can request a quote for 2-Bromo-4,6-difluorophenyl isocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-4,6-difluorophenyl isocyanate?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-4,6-difluorophenyl isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.