1-Fluoro-2,4-dimethyl-5-nitrobenzene
TL;DR: 1-Fluoro-2,4-dimethyl-5-nitrobenzene (CAS 345-22-2) is a chemical compound with molecular formula C8H8FNO2 and molecular weight 169.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-fluoro-2,4-dimethyl-5-nitrobenzene
Also Known As: 1-fluoro-2,4-dimethyl-5-nitrobenzene, 2,4-DIMETHYL-5-NITROFLUOROBENZENE, Benzene, 1-fluoro-2,4-dimethyl-5-nitro-, 3-Fluoro-4,6-dimethyl-nitrobenzene, 1-fluoro-2,4-dimethyl-5-nitro-benzene
| Molecular Formula | C8H8FNO2 |
|---|---|
| Molecular Weight | 169.05 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 169.05391 |
| Heavy Atoms | 12 |
| Complexity | 180.0 |
Chemical Identifiers
| CAS Number | 345-22-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1[N+](=O)[O-])F)C |
| InChIKey | WHXPEFPOIQDRJZ-UHFFFAOYSA-N |
Product Overview
1-Fluoro-2,4-dimethyl-5-nitrobenzene (CAS 345-22-2), with molecular formula C8H8FNO2 and molecular weight 169.05 g/mol. IUPAC: 1-fluoro-2,4-dimethyl-5-nitrobenzene.
Chemical Property Profile of 1-Fluoro-2,4-dimethyl-5-nitrobenzene
Property Insights of 1-Fluoro-2,4-dimethyl-5-nitrobenzene
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Fluoro-2,4-dimethyl-5-nitrobenzene. With a topological polar surface area (TPSA) of 45.8 Ų, 1-Fluoro-2,4-dimethyl-5-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Fluoro-2,4-dimethyl-5-nitrobenzene has 0 hydrogen bond donor(s) and 3 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-Fluoro-2,4-dimethyl-5-nitrobenzene?
The CAS number of 1-Fluoro-2,4-dimethyl-5-nitrobenzene is 345-22-2.
What is the molecular formula of 1-Fluoro-2,4-dimethyl-5-nitrobenzene?
The molecular formula of 1-Fluoro-2,4-dimethyl-5-nitrobenzene is C8H8FNO2.
What is the molecular weight of 1-Fluoro-2,4-dimethyl-5-nitrobenzene?
The molecular weight of 1-Fluoro-2,4-dimethyl-5-nitrobenzene is 169.05 g/mol.
Where can I buy 1-Fluoro-2,4-dimethyl-5-nitrobenzene?
You can request a quote for 1-Fluoro-2,4-dimethyl-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-Fluoro-2,4-dimethyl-5-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Fluoro-2,4-dimethyl-5-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.