4-Fluoro-2-methylanisole
TL;DR: 4-Fluoro-2-methylanisole (CAS 654-70-6) is a chemical compound with molecular formula CC1=C(C=CC(=C1)F)OC and molecular weight 140.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-fluoro-1-methoxy-2-methylbenzene
Also Known As: 4-Fluoro-2-methylanisole, 4-fluoro-1-methoxy-2-methylbenzene, 5-Fluoro-2-methoxytoluene, 4-Fluoro-2-methylanizole, Benzene, 4-fluoro-1-methoxy-2-methyl-
| Molecular Formula | CC1=C(C=CC(=C1)F)OC |
|---|---|
| Molecular Weight | 140.06 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 140.06374 |
| Heavy Atoms | 10 |
| Complexity | 105.0 |
Chemical Identifiers
| CAS Number | 654-70-6 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)F)OC |
| InChIKey | QXOBYWRKNIDHJG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Fluoro-2-methylanisole (CAS 654-70-6), with molecular formula CC1=C(C=CC(=C1)F)OC and molecular weight 140.06 g/mol. IUPAC: 4-fluoro-1-methoxy-2-methylbenzene.
Chemical Property Profile of 4-Fluoro-2-methylanisole
Property Insights of 4-Fluoro-2-methylanisole
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Fluoro-2-methylanisole. With a topological polar surface area (TPSA) of 9.2 Ų, 4-Fluoro-2-methylanisole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Fluoro-2-methylanisole 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 4-Fluoro-2-methylanisole?
The CAS number of 4-Fluoro-2-methylanisole is 654-70-6.
What is the molecular formula of 4-Fluoro-2-methylanisole?
The molecular formula of 4-Fluoro-2-methylanisole is CC1=C(C=CC(=C1)F)OC.
What is the molecular weight of 4-Fluoro-2-methylanisole?
The molecular weight of 4-Fluoro-2-methylanisole is 140.06 g/mol.
Where can I buy 4-Fluoro-2-methylanisole?
You can request a quote for 4-Fluoro-2-methylanisole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Fluoro-2-methylanisole?
Yes, KEHONG BIO provides custom synthesis services for 4-Fluoro-2-methylanisole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.