2,5-Difluorotoluene
TL;DR: 2,5-Difluorotoluene (CAS 452-67-5) is a chemical compound with molecular formula C7H6F2 and molecular weight 128.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-difluoro-2-methylbenzene
Also Known As: 2,5-Difluorotoluene, 1,4-Difluoro-2-methylbenzene, 2,5-Difluorotolune, Benzene, 1,4-difluoro-2-methyl-, 2,4-Difluorotolune
| Molecular Formula | C7H6F2 |
|---|---|
| Molecular Weight | 128.04 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 128.04376 |
| Heavy Atoms | 9 |
| Complexity | 92.0 |
Chemical Identifiers
| CAS Number | 452-67-5 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)F)F |
| InChIKey | YSNVKDGEALPJGC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5-Difluorotoluene (CAS 452-67-5), with molecular formula C7H6F2 and molecular weight 128.04 g/mol. IUPAC: 1,4-difluoro-2-methylbenzene.
Chemical Property Profile of 2,5-Difluorotoluene
Property Insights of 2,5-Difluorotoluene
The XLogP value of 3.1 indicates that 2,5-Difluorotoluene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2,5-Difluorotoluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Difluorotoluene has 0 hydrogen bond donor(s) and 2 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 2,5-Difluorotoluene?
The CAS number of 2,5-Difluorotoluene is 452-67-5.
What is the molecular formula of 2,5-Difluorotoluene?
The molecular formula of 2,5-Difluorotoluene is C7H6F2.
What is the molecular weight of 2,5-Difluorotoluene?
The molecular weight of 2,5-Difluorotoluene is 128.04 g/mol.
Where can I buy 2,5-Difluorotoluene?
You can request a quote for 2,5-Difluorotoluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Difluorotoluene?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Difluorotoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.