Benzene, 1-(2,2-dimethyl-1-methylenepropyl)-3-fluoro-
TL;DR: Benzene, 1-(2,2-dimethyl-1-methylenepropyl)-3-fluoro- (CAS 146558-44-3) is a chemical compound with molecular formula C12H15F and molecular weight 178.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,3-dimethylbut-1-en-2-yl)-3-fluorobenzene
Also Known As: Benzene,1- -3-fluoro-, 1-(3,3-dimethylbut-1-en-2-yl)-3-fluorobenzene, Benzene, 1-(2,2-dimethyl-1-methylenepropyl)-3-fluoro-, 3,3-Dimethyl-2-(3-fluorophenyl)-1-butene, J1.076.189A
| Molecular Formula | C12H15F |
|---|---|
| Molecular Weight | 178.12 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 178.11578 |
| Heavy Atoms | 13 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 146558-44-3 |
|---|---|
| SMILES | CC(C)(C)C(=C)C1=CC(=CC=C1)F |
| InChIKey | AGFFWVOXOGOEID-UHFFFAOYSA-N |
Product Overview
Benzene, 1-(2,2-dimethyl-1-methylenepropyl)-3-fluoro- (CAS 146558-44-3), with molecular formula C12H15F and molecular weight 178.12 g/mol. IUPAC: 1-(3,3-dimethylbut-1-en-2-yl)-3-fluorobenzene.
Chemical Property Profile of Benzene, 1-(2,2-dimethyl-1-methylenepropyl)-3-fluoro-
Property Insights of Benzene, 1-(2,2-dimethyl-1-methylenepropyl)-3-fluoro-
The XLogP value of 4.7 indicates that Benzene, 1-(2,2-dimethyl-1-methylenepropyl)-3-fluoro- 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-(2,2-dimethyl-1-methylenepropyl)-3-fluoro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-(2,2-dimethyl-1-methylenepropyl)-3-fluoro- 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-(2,2-dimethyl-1-methylenepropyl)-3-fluoro-?
The CAS number of Benzene, 1-(2,2-dimethyl-1-methylenepropyl)-3-fluoro- is 146558-44-3.
What is the molecular formula of Benzene, 1-(2,2-dimethyl-1-methylenepropyl)-3-fluoro-?
The molecular formula of Benzene, 1-(2,2-dimethyl-1-methylenepropyl)-3-fluoro- is C12H15F.
What is the molecular weight of Benzene, 1-(2,2-dimethyl-1-methylenepropyl)-3-fluoro-?
The molecular weight of Benzene, 1-(2,2-dimethyl-1-methylenepropyl)-3-fluoro- is 178.12 g/mol.
Where can I buy Benzene, 1-(2,2-dimethyl-1-methylenepropyl)-3-fluoro-?
You can request a quote for Benzene, 1-(2,2-dimethyl-1-methylenepropyl)-3-fluoro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-(2,2-dimethyl-1-methylenepropyl)-3-fluoro-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-(2,2-dimethyl-1-methylenepropyl)-3-fluoro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.