4-Fluorocumene
TL;DR: 4-Fluorocumene (CAS 403-39-4) is a chemical compound with molecular formula C9H11F and molecular weight 138.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-fluoro-4-propan-2-ylbenzene
Also Known As: 1-FLUORO-4-ISOPROPYLBENZENE, 4-fluorocumene, p-Fluorocumene, 4-Fluoroisopropylbenzene, 1-fluoro-4-propan-2-ylbenzene
| Molecular Formula | C9H11F |
|---|---|
| Molecular Weight | 138.08 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 138.08447 |
| Heavy Atoms | 10 |
| Complexity | 90.0 |
Chemical Identifiers
| CAS Number | 403-39-4 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)F |
| InChIKey | XZISOEPNTDOUEA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Fluorocumene (CAS 403-39-4), with molecular formula C9H11F and molecular weight 138.08 g/mol. IUPAC: 1-fluoro-4-propan-2-ylbenzene.
Chemical Property Profile of 4-Fluorocumene
Property Insights of 4-Fluorocumene
The XLogP value of 3.4 indicates that 4-Fluorocumene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 4-Fluorocumene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Fluorocumene has 0 hydrogen bond donor(s) and 1 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-Fluorocumene?
The CAS number of 4-Fluorocumene is 403-39-4.
What is the molecular formula of 4-Fluorocumene?
The molecular formula of 4-Fluorocumene is C9H11F.
What is the molecular weight of 4-Fluorocumene?
The molecular weight of 4-Fluorocumene is 138.08 g/mol.
Where can I buy 4-Fluorocumene?
You can request a quote for 4-Fluorocumene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Fluorocumene?
Yes, KEHONG BIO provides custom synthesis services for 4-Fluorocumene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.