Perfluorophenyl isocyanate
TL;DR: Perfluorophenyl isocyanate (CAS 1591-95-3) is a chemical compound with molecular formula C7F5NO and molecular weight 208.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3,4,5-pentafluoro-6-isocyanatobenzene
Also Known As: Pentafluorophenyl isocyanate, Perfluorophenyl isocyanate, 1,2,3,4,5-pentafluoro-6-isocyanatobenzene, Isocyanate, pentafluorophenyl-, pentafluoro phenylisocyanate
| Molecular Formula | C7F5NO |
|---|---|
| Molecular Weight | 208.99 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 208.99 |
| Heavy Atoms | 14 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 1591-95-3 |
|---|---|
| SMILES | C(=NC1=C(C(=C(C(=C1F)F)F)F)F)=O |
| InChIKey | QXLDBWRLZDBVGF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Perfluorophenyl isocyanate (CAS 1591-95-3), with molecular formula C7F5NO and molecular weight 208.99 g/mol. IUPAC: 1,2,3,4,5-pentafluoro-6-isocyanatobenzene.
Chemical Property Profile of Perfluorophenyl isocyanate
Property Insights of Perfluorophenyl isocyanate
The XLogP value of 3.2 indicates that Perfluorophenyl isocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.4 Ų, Perfluorophenyl isocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Perfluorophenyl isocyanate has 0 hydrogen bond donor(s) and 7 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 Perfluorophenyl isocyanate?
The CAS number of Perfluorophenyl isocyanate is 1591-95-3.
What is the molecular formula of Perfluorophenyl isocyanate?
The molecular formula of Perfluorophenyl isocyanate is C7F5NO.
What is the molecular weight of Perfluorophenyl isocyanate?
The molecular weight of Perfluorophenyl isocyanate is 208.99 g/mol.
Where can I buy Perfluorophenyl isocyanate?
You can request a quote for Perfluorophenyl isocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Perfluorophenyl isocyanate?
Yes, KEHONG BIO provides custom synthesis services for Perfluorophenyl isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.