Benzene, 2-fluoro-1,4-bis(1-methylethyl)-
TL;DR: Benzene, 2-fluoro-1,4-bis(1-methylethyl)- (CAS 87591-03-5) is a chemical compound with molecular formula C12H17F and molecular weight 180.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-fluoro-1,4-di(propan-2-yl)benzene
Also Known As: Benzene, 2-fluoro-1,4-bis(1-methylethyl)-, 2-fluoro-1,4-di(propan-2-yl)benzene, 2-fluoro-1,4-bis(propan-2-yl)benzene, 2-FLUORO-1,4-DIISOPROPYLBENZENE, Benzene, 2-fluoro-1,4-bis (1-methylethyl)-
| Molecular Formula | C12H17F |
|---|---|
| Molecular Weight | 180.13 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.13142 |
| Heavy Atoms | 13 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 87591-03-5 |
|---|---|
| SMILES | CC(C)C1=CC(=C(C=C1)C(C)C)F |
| InChIKey | NTUDGJSTIQYBPG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 2-fluoro-1,4-bis(1-methylethyl)- (CAS 87591-03-5), with molecular formula C12H17F and molecular weight 180.13 g/mol. IUPAC: 2-fluoro-1,4-di(propan-2-yl)benzene.
Chemical Property Profile of Benzene, 2-fluoro-1,4-bis(1-methylethyl)-
Property Insights of Benzene, 2-fluoro-1,4-bis(1-methylethyl)-
The XLogP value of 4.3 indicates that Benzene, 2-fluoro-1,4-bis(1-methylethyl)- 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, 2-fluoro-1,4-bis(1-methylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 2-fluoro-1,4-bis(1-methylethyl)- 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, 2-fluoro-1,4-bis(1-methylethyl)-?
The CAS number of Benzene, 2-fluoro-1,4-bis(1-methylethyl)- is 87591-03-5.
What is the molecular formula of Benzene, 2-fluoro-1,4-bis(1-methylethyl)-?
The molecular formula of Benzene, 2-fluoro-1,4-bis(1-methylethyl)- is C12H17F.
What is the molecular weight of Benzene, 2-fluoro-1,4-bis(1-methylethyl)-?
The molecular weight of Benzene, 2-fluoro-1,4-bis(1-methylethyl)- is 180.13 g/mol.
Where can I buy Benzene, 2-fluoro-1,4-bis(1-methylethyl)-?
You can request a quote for Benzene, 2-fluoro-1,4-bis(1-methylethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 2-fluoro-1,4-bis(1-methylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 2-fluoro-1,4-bis(1-methylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.