Ethyl 3,4-difluorobenzoate
TL;DR: Ethyl 3,4-difluorobenzoate (CAS 144267-96-9) is a chemical compound with molecular formula C9H8F2O2 and molecular weight 186.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3,4-difluorobenzoate
Also Known As: ethyl 3,4-difluorobenzoate, Benzoic acid, 3,4-difluoro-, ethyl ester, ethyl3,4-difluorobenzoate, ethyl 3,4-difluoro-benzoate, ethyl-3,4-difluorobenzoate
| Molecular Formula | C9H8F2O2 |
|---|---|
| Molecular Weight | 186.05 g/mol |
| LogP | 2.1415 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 186.04924 |
| Heavy Atoms | 13 |
| Complexity | 323.39078 |
Chemical Identifiers
| CAS Number | 144267-96-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=C(C=C1)F)F |
Product Overview
Ethyl 3,4-difluorobenzoate (CAS 144267-96-9), with molecular formula C9H8F2O2 and molecular weight 186.05 g/mol. IUPAC: ethyl 3,4-difluorobenzoate.
Chemical Property Profile of Ethyl 3,4-difluorobenzoate
Property Insights of Ethyl 3,4-difluorobenzoate
The XLogP value of 2.1415 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3,4-difluorobenzoate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 3,4-difluorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3,4-difluorobenzoate has 0 hydrogen bond donor(s) and 2 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 Ethyl 3,4-difluorobenzoate?
The CAS number of Ethyl 3,4-difluorobenzoate is 144267-96-9.
What is the molecular formula of Ethyl 3,4-difluorobenzoate?
The molecular formula of Ethyl 3,4-difluorobenzoate is C9H8F2O2.
What is the molecular weight of Ethyl 3,4-difluorobenzoate?
The molecular weight of Ethyl 3,4-difluorobenzoate is 186.05 g/mol.
Where can I buy Ethyl 3,4-difluorobenzoate?
You can request a quote for Ethyl 3,4-difluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3,4-difluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3,4-difluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.