2,4-Difluoro-1-methylbenzene
TL;DR: 2,4-Difluoro-1-methylbenzene (CAS 452-76-6) 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.
2,4-difluoro-1-methylbenzene
Also Known As: 2,4-Difluorotoluene, 2,4-Difluoro-1-methylbenzene, Difluorotoluene, null, 2,4-Difluorotolune
| Molecular Formula | C7H6F2 |
|---|---|
| Molecular Weight | 128.04 g/mol |
| LogP | 2.5 |
| 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 | 452-76-6 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)F)F |
| InChIKey | MPXDAIBTYWGBSL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Difluoro-1-methylbenzene (CAS 452-76-6), with molecular formula C7H6F2 and molecular weight 128.04 g/mol. IUPAC: 2,4-difluoro-1-methylbenzene.
Chemical Property Profile of 2,4-Difluoro-1-methylbenzene
Property Insights of 2,4-Difluoro-1-methylbenzene
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Difluoro-1-methylbenzene. With a topological polar surface area (TPSA) of 0.0 Ų, 2,4-Difluoro-1-methylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Difluoro-1-methylbenzene 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 2,4-Difluoro-1-methylbenzene?
The CAS number of 2,4-Difluoro-1-methylbenzene is 452-76-6.
What is the molecular formula of 2,4-Difluoro-1-methylbenzene?
The molecular formula of 2,4-Difluoro-1-methylbenzene is C7H6F2.
What is the molecular weight of 2,4-Difluoro-1-methylbenzene?
The molecular weight of 2,4-Difluoro-1-methylbenzene is 128.04 g/mol.
Where can I buy 2,4-Difluoro-1-methylbenzene?
You can request a quote for 2,4-Difluoro-1-methylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Difluoro-1-methylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Difluoro-1-methylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.