1-(Difluoromethyl)-4-methoxybenzene
TL;DR: 1-(Difluoromethyl)-4-methoxybenzene (CAS 658-17-3) is a chemical compound with molecular formula C8H8F2O and molecular weight 158.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(difluoromethyl)-4-methoxybenzene
Also Known As: 1-(difluoromethyl)-4-methoxybenzene, 4-(Difluoromethyl)anisole, benzene, 1-(difluoromethyl)-4-methoxy-, 1-difluoromethyl-4-methoxybenzene, 1-(Difluormethyl)-4-methoxybenzol
| Molecular Formula | C8H8F2O |
|---|---|
| Molecular Weight | 158.05 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 158.05432 |
| Heavy Atoms | 11 |
| Complexity | 109.0 |
Chemical Identifiers
| CAS Number | 658-17-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(F)F |
| InChIKey | YNZBAHINXSRPNN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Difluoromethyl)-4-methoxybenzene (CAS 658-17-3), with molecular formula C8H8F2O and molecular weight 158.05 g/mol. IUPAC: 1-(difluoromethyl)-4-methoxybenzene.
Chemical Property Profile of 1-(Difluoromethyl)-4-methoxybenzene
Property Insights of 1-(Difluoromethyl)-4-methoxybenzene
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Difluoromethyl)-4-methoxybenzene. With a topological polar surface area (TPSA) of 9.2 Ų, 1-(Difluoromethyl)-4-methoxybenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Difluoromethyl)-4-methoxybenzene 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-(Difluoromethyl)-4-methoxybenzene?
The CAS number of 1-(Difluoromethyl)-4-methoxybenzene is 658-17-3.
What is the molecular formula of 1-(Difluoromethyl)-4-methoxybenzene?
The molecular formula of 1-(Difluoromethyl)-4-methoxybenzene is C8H8F2O.
What is the molecular weight of 1-(Difluoromethyl)-4-methoxybenzene?
The molecular weight of 1-(Difluoromethyl)-4-methoxybenzene is 158.05 g/mol.
Where can I buy 1-(Difluoromethyl)-4-methoxybenzene?
You can request a quote for 1-(Difluoromethyl)-4-methoxybenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Difluoromethyl)-4-methoxybenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Difluoromethyl)-4-methoxybenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.