Methyl 2,4-Difluorobenzoate
TL;DR: Methyl 2,4-Difluorobenzoate (CAS 106614-94-2) is a chemical compound with molecular formula C8H6F2O2 and molecular weight 172.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,4-difluorobenzoate
Also Known As: Methyl 2,4-difluorobenzoate, amorolfine hydrochloride, methyl-2,4-difluorobenzoate, Methyl 2,4-difluoro benzoate, 2,4-Difluorobenzoic Acid Methyl Ester
| Molecular Formula | C8H6F2O2 |
|---|---|
| Molecular Weight | 172.03 g/mol |
| LogP | 1.7514 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 172.03358 |
| Heavy Atoms | 12 |
| Complexity | 309.9262 |
Chemical Identifiers
| CAS Number | 106614-94-2 |
|---|---|
| SMILES | COC(=O)C1=C(C=C(C=C1)F)F |
Product Overview
Methyl 2,4-Difluorobenzoate (CAS 106614-94-2), with molecular formula C8H6F2O2 and molecular weight 172.03 g/mol. IUPAC: methyl 2,4-difluorobenzoate.
Chemical Property Profile of Methyl 2,4-Difluorobenzoate
Property Insights of Methyl 2,4-Difluorobenzoate
The XLogP value of 1.7514 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2,4-Difluorobenzoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 2,4-Difluorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2,4-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 Methyl 2,4-Difluorobenzoate?
The CAS number of Methyl 2,4-Difluorobenzoate is 106614-94-2.
What is the molecular formula of Methyl 2,4-Difluorobenzoate?
The molecular formula of Methyl 2,4-Difluorobenzoate is C8H6F2O2.
What is the molecular weight of Methyl 2,4-Difluorobenzoate?
The molecular weight of Methyl 2,4-Difluorobenzoate is 172.03 g/mol.
Where can I buy Methyl 2,4-Difluorobenzoate?
You can request a quote for Methyl 2,4-Difluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2,4-Difluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2,4-Difluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.