4-Fluorophenylaziridine
TL;DR: 4-Fluorophenylaziridine (CAS 698-53-3) is a chemical compound with molecular formula C1CN1C2=CC=C(C=C2)F and molecular weight 137.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)aziridine
Also Known As: 4-Fluorophenylaziridine, 1-(4-fluorophenyl)aziridine, N-p-fluorophenylaziridine, 1-(4-Fluoro-phenyl)-aziridine
| Molecular Formula | C1CN1C2=CC=C(C=C2)F |
|---|---|
| Molecular Weight | 137.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 3.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 137.06407 |
| Heavy Atoms | 10 |
| Complexity | 114.0 |
Chemical Identifiers
| CAS Number | 698-53-3 |
|---|---|
| SMILES | C1CN1C2=CC=C(C=C2)F |
| InChIKey | FOKDVFBDEKBAKV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Fluorophenylaziridine (CAS 698-53-3), with molecular formula C1CN1C2=CC=C(C=C2)F and molecular weight 137.06 g/mol. IUPAC: 1-(4-fluorophenyl)aziridine.
Chemical Property Profile of 4-Fluorophenylaziridine
Property Insights of 4-Fluorophenylaziridine
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Fluorophenylaziridine. With a topological polar surface area (TPSA) of 3.0 Ų, 4-Fluorophenylaziridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Fluorophenylaziridine 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-Fluorophenylaziridine?
The CAS number of 4-Fluorophenylaziridine is 698-53-3.
What is the molecular formula of 4-Fluorophenylaziridine?
The molecular formula of 4-Fluorophenylaziridine is C1CN1C2=CC=C(C=C2)F.
What is the molecular weight of 4-Fluorophenylaziridine?
The molecular weight of 4-Fluorophenylaziridine is 137.06 g/mol.
Where can I buy 4-Fluorophenylaziridine?
You can request a quote for 4-Fluorophenylaziridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Fluorophenylaziridine?
Yes, KEHONG BIO provides custom synthesis services for 4-Fluorophenylaziridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.