4-(Difluoromethoxy)-3-ethoxybenzoic acid
TL;DR: 4-(Difluoromethoxy)-3-ethoxybenzoic acid (CAS 162401-63-0) is a chemical compound with molecular formula C10H10F2O4 and molecular weight 232.05472 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(difluoromethoxy)-3-ethoxybenzoic acid
Also Known As: 4-(difluoromethoxy)-3-ethoxybenzoic acid, 4-Difluoromethoxy-3-ethoxy-benzoic acid, 4-(Difluoromethoxy)-3-ethoxy-benzoic acid, 5207AD, BAS 12541607
Technical Specifications
| Molecular Formula | C10H10F2O4 |
| Molecular Weight | 232.05472 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 232.05472 Da |
| Heavy Atoms | 16 |
| Complexity | 235.0 |
| SMILES | CCOC1=C(C=CC(=C1)C(=O)O)OC(F)F |
| InChIKey | FPNSIXUGULJPGQ-UHFFFAOYSA-N |
Chemical Property Profile of 4-(Difluoromethoxy)-3-ethoxybenzoic acid
Property Insights of 4-(Difluoromethoxy)-3-ethoxybenzoic acid
The XLogP value of 3.0 indicates that 4-(Difluoromethoxy)-3-ethoxybenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, 4-(Difluoromethoxy)-3-ethoxybenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Difluoromethoxy)-3-ethoxybenzoic acid has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-(Difluoromethoxy)-3-ethoxybenzoic acid?
The CAS number of 4-(Difluoromethoxy)-3-ethoxybenzoic acid is 162401-63-0.
What is the molecular formula of 4-(Difluoromethoxy)-3-ethoxybenzoic acid?
The molecular formula of 4-(Difluoromethoxy)-3-ethoxybenzoic acid is C10H10F2O4.
What is the molecular weight of 4-(Difluoromethoxy)-3-ethoxybenzoic acid?
The molecular weight of 4-(Difluoromethoxy)-3-ethoxybenzoic acid is 232.05472 g/mol.
Where can I buy 4-(Difluoromethoxy)-3-ethoxybenzoic acid?
You can request a quote for 4-(Difluoromethoxy)-3-ethoxybenzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(Difluoromethoxy)-3-ethoxybenzoic acid?
Yes, CoreyChem provides custom synthesis services for 4-(Difluoromethoxy)-3-ethoxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.