环丁基-4-氟苯基酮
TL;DR: 环丁基-4-氟苯基酮 (CAS 31431-13-7) is a chemical compound with molecular formula C11H11FO and molecular weight 178.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
环丁基-4-氟苯基酮
cyclobutyl-(4-fluorophenyl)methanone
Also Known As: Cyclobutyl 4-fluorophenyl ketone, cyclobutyl(4-fluorophenyl)methanone, CYCLOBUTYL-4-FLUOROPHENYL KETONE, cyclobutyl-(4-fluorophenyl)methanone, 4-Fluorobenzoylcyclobutane
| Molecular Formula | C11H11FO |
|---|---|
| Molecular Weight | 178.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 178.07939 |
| Heavy Atoms | 13 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 31431-13-7 |
|---|---|
| SMILES | C1CC(C1)C(=O)C2=CC=C(C=C2)F |
| InChIKey | KMWTUCKAZFNWNG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
环丁基-4-氟苯基酮 (CAS 31431-13-7), with molecular formula C11H11FO and molecular weight 178.08 g/mol. IUPAC: cyclobutyl-(4-fluorophenyl)methanone.
Chemical Property Profile of 环丁基-4-氟苯基酮
Property Insights of 环丁基-4-氟苯基酮
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 环丁基-4-氟苯基酮. With a topological polar surface area (TPSA) of 17.1 Ų, 环丁基-4-氟苯基酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 环丁基-4-氟苯基酮 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 环丁基-4-氟苯基酮?
The CAS number of 环丁基-4-氟苯基酮 is 31431-13-7.
What is the molecular formula of 环丁基-4-氟苯基酮?
The molecular formula of 环丁基-4-氟苯基酮 is C11H11FO.
What is the molecular weight of 环丁基-4-氟苯基酮?
The molecular weight of 环丁基-4-氟苯基酮 is 178.08 g/mol.
Where can I buy 环丁基-4-氟苯基酮?
You can request a quote for 环丁基-4-氟苯基酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 环丁基-4-氟苯基酮?
Yes, KEHONG BIO provides custom synthesis services for 环丁基-4-氟苯基酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.