4-(Difluoromethoxy)-3-ethoxybenzaldehyde
TL;DR: 4-(Difluoromethoxy)-3-ethoxybenzaldehyde (CAS 162401-73-2) is a chemical compound with molecular formula C10H10F2O3 and molecular weight 216.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(difluoromethoxy)-3-ethoxybenzaldehyde
Also Known As: 4-(difluoromethoxy)-3-ethoxybenzaldehyde, 4-Difluoromethoxy-3-ethoxy-benzaldehyde, BENZALDEHYDE, 4-(DIFLUOROMETHOXY)-3-ETHOXY-, 4-(difluoromethoxy)-3-ethoxy-benzaldehyde, 4-Difluoromethoxy-3-ethoxybenzaldehyde
| Molecular Formula | C10H10F2O3 |
|---|---|
| Molecular Weight | 216.06 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 216.0598 |
| Heavy Atoms | 15 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 162401-73-2 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C=O)OC(F)F |
| InChIKey | GYRYHZYEFPCQIZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Difluoromethoxy)-3-ethoxybenzaldehyde (CAS 162401-73-2), with molecular formula C10H10F2O3 and molecular weight 216.06 g/mol. IUPAC: 4-(difluoromethoxy)-3-ethoxybenzaldehyde.
Chemical Property Profile of 4-(Difluoromethoxy)-3-ethoxybenzaldehyde
Property Insights of 4-(Difluoromethoxy)-3-ethoxybenzaldehyde
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Difluoromethoxy)-3-ethoxybenzaldehyde. With a topological polar surface area (TPSA) of 35.5 Ų, 4-(Difluoromethoxy)-3-ethoxybenzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Difluoromethoxy)-3-ethoxybenzaldehyde has 0 hydrogen bond donor(s) and 5 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-(Difluoromethoxy)-3-ethoxybenzaldehyde?
The CAS number of 4-(Difluoromethoxy)-3-ethoxybenzaldehyde is 162401-73-2.
What is the molecular formula of 4-(Difluoromethoxy)-3-ethoxybenzaldehyde?
The molecular formula of 4-(Difluoromethoxy)-3-ethoxybenzaldehyde is C10H10F2O3.
What is the molecular weight of 4-(Difluoromethoxy)-3-ethoxybenzaldehyde?
The molecular weight of 4-(Difluoromethoxy)-3-ethoxybenzaldehyde is 216.06 g/mol.
Where can I buy 4-(Difluoromethoxy)-3-ethoxybenzaldehyde?
You can request a quote for 4-(Difluoromethoxy)-3-ethoxybenzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Difluoromethoxy)-3-ethoxybenzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4-(Difluoromethoxy)-3-ethoxybenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.