氟代均三甲苯
TL;DR: 氟代均三甲苯 (CAS 1813-33-8) is a chemical compound with molecular formula C9H11F and molecular weight 138.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氟代均三甲苯
2-fluoro-1,3,5-trimethylbenzene
Also Known As: 2-Fluoro-1,3,5-trimethylbenzene, Mesityl Fluoride, 2-Fluoromesitylene, Fluoromesitylene, 2,4,6-TRIMETHYLFLUOROBENZENE
| Molecular Formula | C9H11F |
|---|---|
| Molecular Weight | 138.08 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 138.08447 |
| Heavy Atoms | 10 |
| Complexity | 99.0 |
Chemical Identifiers
| CAS Number | 1813-33-8 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)F)C |
| InChIKey | ZLGPNBBJPOBSLY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氟代均三甲苯 (CAS 1813-33-8), with molecular formula C9H11F and molecular weight 138.08 g/mol. IUPAC: 2-fluoro-1,3,5-trimethylbenzene.
Chemical Property Profile of 氟代均三甲苯
Property Insights of 氟代均三甲苯
The XLogP value of 3.1 indicates that 氟代均三甲苯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 氟代均三甲苯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氟代均三甲苯 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 氟代均三甲苯?
The CAS number of 氟代均三甲苯 is 1813-33-8.
What is the molecular formula of 氟代均三甲苯?
The molecular formula of 氟代均三甲苯 is C9H11F.
What is the molecular weight of 氟代均三甲苯?
The molecular weight of 氟代均三甲苯 is 138.08 g/mol.
Where can I buy 氟代均三甲苯?
You can request a quote for 氟代均三甲苯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氟代均三甲苯?
Yes, KEHONG BIO provides custom synthesis services for 氟代均三甲苯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.