1,4-Difluoro-2-methyl-5-nitrobenzene
TL;DR: 1,4-Difluoro-2-methyl-5-nitrobenzene (CAS 1664-56-8) is a chemical compound with molecular formula C7H5F2NO2 and molecular weight 173.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-difluoro-2-methyl-5-nitrobenzene
Also Known As: 1,4-difluoro-2-methyl-5-nitrobenzene, 2,5-Difluoro-4-nitrotoluene, 2,5-Difluoro-4-methylnitrobenzene, 2,5-Difluoro-4-methyl nitrobenzene, difluoromethylnitrobenzene
| Molecular Formula | C7H5F2NO2 |
|---|---|
| Molecular Weight | 173.03 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 173.02884 |
| Heavy Atoms | 12 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 1664-56-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1F)[N+](=O)[O-])F |
| InChIKey | ABWWQMGGJXKGBL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Difluoro-2-methyl-5-nitrobenzene (CAS 1664-56-8), with molecular formula C7H5F2NO2 and molecular weight 173.03 g/mol. IUPAC: 1,4-difluoro-2-methyl-5-nitrobenzene.
Chemical Property Profile of 1,4-Difluoro-2-methyl-5-nitrobenzene
Property Insights of 1,4-Difluoro-2-methyl-5-nitrobenzene
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Difluoro-2-methyl-5-nitrobenzene. With a topological polar surface area (TPSA) of 45.8 Ų, 1,4-Difluoro-2-methyl-5-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Difluoro-2-methyl-5-nitrobenzene has 0 hydrogen bond donor(s) and 4 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 1,4-Difluoro-2-methyl-5-nitrobenzene?
The CAS number of 1,4-Difluoro-2-methyl-5-nitrobenzene is 1664-56-8.
What is the molecular formula of 1,4-Difluoro-2-methyl-5-nitrobenzene?
The molecular formula of 1,4-Difluoro-2-methyl-5-nitrobenzene is C7H5F2NO2.
What is the molecular weight of 1,4-Difluoro-2-methyl-5-nitrobenzene?
The molecular weight of 1,4-Difluoro-2-methyl-5-nitrobenzene is 173.03 g/mol.
Where can I buy 1,4-Difluoro-2-methyl-5-nitrobenzene?
You can request a quote for 1,4-Difluoro-2-methyl-5-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Difluoro-2-methyl-5-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Difluoro-2-methyl-5-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.