2-Fluoro-1,3-diisopropyl-benzene
TL;DR: 2-Fluoro-1,3-diisopropyl-benzene (CAS 87591-05-7) 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-1,3-di(propan-2-yl)benzene
Also Known As: Fropofol, 2,6-Diisopropylfluorobenzene, 2-Fluoro-1,3-diisopropylbenzene, starbld0002972, 2-fluoro-1,3-di(propan-2-yl)benzene
| Molecular Formula | C12H17F |
|---|---|
| Molecular Weight | 180.13 g/mol |
| LogP | 4.2 |
| 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 | 135.0 |
Chemical Identifiers
| CAS Number | 87591-05-7 |
|---|---|
| SMILES | CC(C)C1=C(C(=CC=C1)C(C)C)F |
| InChIKey | WAWGGRDKKRRDOY-UHFFFAOYSA-N |
Product Overview
2-Fluoro-1,3-diisopropyl-benzene (CAS 87591-05-7), with molecular formula C12H17F and molecular weight 180.13 g/mol. IUPAC: 2-fluoro-1,3-di(propan-2-yl)benzene.
Chemical Property Profile of 2-Fluoro-1,3-diisopropyl-benzene
Property Insights of 2-Fluoro-1,3-diisopropyl-benzene
The XLogP value of 4.2 indicates that 2-Fluoro-1,3-diisopropyl-benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2-Fluoro-1,3-diisopropyl-benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Fluoro-1,3-diisopropyl-benzene 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 2-Fluoro-1,3-diisopropyl-benzene?
The CAS number of 2-Fluoro-1,3-diisopropyl-benzene is 87591-05-7.
What is the molecular formula of 2-Fluoro-1,3-diisopropyl-benzene?
The molecular formula of 2-Fluoro-1,3-diisopropyl-benzene is C12H17F.
What is the molecular weight of 2-Fluoro-1,3-diisopropyl-benzene?
The molecular weight of 2-Fluoro-1,3-diisopropyl-benzene is 180.13 g/mol.
Where can I buy 2-Fluoro-1,3-diisopropyl-benzene?
You can request a quote for 2-Fluoro-1,3-diisopropyl-benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Fluoro-1,3-diisopropyl-benzene?
Yes, KEHONG BIO provides custom synthesis services for 2-Fluoro-1,3-diisopropyl-benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.