alpha,alpha-Difluoro-p-methylanisole
TL;DR: alpha,alpha-Difluoro-p-methylanisole (CAS 1583-83-1) 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-(difluoromethoxy)-4-methylbenzene
Also Known As: 4-(Difluoromethoxy)toluene, 1-(difluoromethoxy)-4-methylbenzene, 4-Methyl-1-(difluoromethoxy)benzene, 4-difluoromethoxytoluene, Methyl
| Molecular Formula | C8H8F2O |
|---|---|
| Molecular Weight | 158.05 g/mol |
| LogP | 3.6 |
| 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 | 1583-83-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OC(F)F |
| InChIKey | DJDQNISEJVPQCS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha,alpha-Difluoro-p-methylanisole (CAS 1583-83-1), with molecular formula C8H8F2O and molecular weight 158.05 g/mol. IUPAC: 1-(difluoromethoxy)-4-methylbenzene.
Chemical Property Profile of alpha,alpha-Difluoro-p-methylanisole
Property Insights of alpha,alpha-Difluoro-p-methylanisole
The XLogP value of 3.6 indicates that alpha,alpha-Difluoro-p-methylanisole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, alpha,alpha-Difluoro-p-methylanisole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha,alpha-Difluoro-p-methylanisole 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 alpha,alpha-Difluoro-p-methylanisole?
The CAS number of alpha,alpha-Difluoro-p-methylanisole is 1583-83-1.
What is the molecular formula of alpha,alpha-Difluoro-p-methylanisole?
The molecular formula of alpha,alpha-Difluoro-p-methylanisole is C8H8F2O.
What is the molecular weight of alpha,alpha-Difluoro-p-methylanisole?
The molecular weight of alpha,alpha-Difluoro-p-methylanisole is 158.05 g/mol.
Where can I buy alpha,alpha-Difluoro-p-methylanisole?
You can request a quote for alpha,alpha-Difluoro-p-methylanisole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha,alpha-Difluoro-p-methylanisole?
Yes, KEHONG BIO provides custom synthesis services for alpha,alpha-Difluoro-p-methylanisole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.