Methyl 4-(difluoromethoxy)-3-methoxybenzoate
TL;DR: Methyl 4-(difluoromethoxy)-3-methoxybenzoate (CAS 773874-12-7) is a chemical compound with molecular formula C10H10F2O4 and molecular weight 232.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(difluoromethoxy)-3-methoxybenzoate
Also Known As: methyl 4-(difluoromethoxy)-3-methoxybenzoate, methyl 4-(difluoromethoxy)-3-methoxy-benzoate, methyl4-(difluoromethoxy)-3-methoxybenzoate, 4-difluoromethoxy-3-methoxy-benzoic acid methyl ester, 4-DIFLUOROMETHOXY-3-METHOXY-BENZOIC ACID METHYLESTER
| Molecular Formula | C10H10F2O4 |
|---|---|
| Molecular Weight | 232.05 g/mol |
| LogP | 2.0832 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 232.05472 |
| Heavy Atoms | 16 |
| Complexity | 379.08182 |
Chemical Identifiers
| CAS Number | 773874-12-7 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C(=O)OC)OC(F)F |
Product Overview
Methyl 4-(difluoromethoxy)-3-methoxybenzoate (CAS 773874-12-7), with molecular formula C10H10F2O4 and molecular weight 232.05 g/mol. IUPAC: methyl 4-(difluoromethoxy)-3-methoxybenzoate.
Chemical Property Profile of Methyl 4-(difluoromethoxy)-3-methoxybenzoate
Property Insights of Methyl 4-(difluoromethoxy)-3-methoxybenzoate
The XLogP value of 2.0832 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(difluoromethoxy)-3-methoxybenzoate. With a topological polar surface area (TPSA) of 44.76 Ų, Methyl 4-(difluoromethoxy)-3-methoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-(difluoromethoxy)-3-methoxybenzoate has 0 hydrogen bond donor(s) and 4 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 Methyl 4-(difluoromethoxy)-3-methoxybenzoate?
The CAS number of Methyl 4-(difluoromethoxy)-3-methoxybenzoate is 773874-12-7.
What is the molecular formula of Methyl 4-(difluoromethoxy)-3-methoxybenzoate?
The molecular formula of Methyl 4-(difluoromethoxy)-3-methoxybenzoate is C10H10F2O4.
What is the molecular weight of Methyl 4-(difluoromethoxy)-3-methoxybenzoate?
The molecular weight of Methyl 4-(difluoromethoxy)-3-methoxybenzoate is 232.05 g/mol.
Where can I buy Methyl 4-(difluoromethoxy)-3-methoxybenzoate?
You can request a quote for Methyl 4-(difluoromethoxy)-3-methoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(difluoromethoxy)-3-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(difluoromethoxy)-3-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.