Benzene, 1-fluoro-3-(phenylmethyl)-
TL;DR: Benzene, 1-fluoro-3-(phenylmethyl)- (CAS 1496-00-0) is a chemical compound with molecular formula C13H11F and molecular weight 186.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3-fluorobenzene
Also Known As: 1-Benzyl-3-fluorobenzene, Benzene, 1-fluoro-3-(phenylmethyl)-, 1-Fluoro-3-benzylbenzene, m-Fluordiphenylmethan, m-fluorodiphenylmethane
| Molecular Formula | C13H11F |
|---|---|
| Molecular Weight | 186.08 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 186.08447 |
| Heavy Atoms | 14 |
| Complexity | 161.0 |
Chemical Identifiers
| CAS Number | 1496-00-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=CC(=CC=C2)F |
| InChIKey | QAJVVMNLYVCJCO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1-fluoro-3-(phenylmethyl)- (CAS 1496-00-0), with molecular formula C13H11F and molecular weight 186.08 g/mol. IUPAC: 1-benzyl-3-fluorobenzene.
Chemical Property Profile of Benzene, 1-fluoro-3-(phenylmethyl)-
Property Insights of Benzene, 1-fluoro-3-(phenylmethyl)-
The XLogP value of 3.9 indicates that Benzene, 1-fluoro-3-(phenylmethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Benzene, 1-fluoro-3-(phenylmethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-fluoro-3-(phenylmethyl)- 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 Benzene, 1-fluoro-3-(phenylmethyl)-?
The CAS number of Benzene, 1-fluoro-3-(phenylmethyl)- is 1496-00-0.
What is the molecular formula of Benzene, 1-fluoro-3-(phenylmethyl)-?
The molecular formula of Benzene, 1-fluoro-3-(phenylmethyl)- is C13H11F.
What is the molecular weight of Benzene, 1-fluoro-3-(phenylmethyl)-?
The molecular weight of Benzene, 1-fluoro-3-(phenylmethyl)- is 186.08 g/mol.
Where can I buy Benzene, 1-fluoro-3-(phenylmethyl)-?
You can request a quote for Benzene, 1-fluoro-3-(phenylmethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-fluoro-3-(phenylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-fluoro-3-(phenylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.