Methyl 4-(1,1,2,2-tetrafluoroethoxy)benzoate
TL;DR: Methyl 4-(1,1,2,2-tetrafluoroethoxy)benzoate (CAS 93982-47-9) is a chemical compound with molecular formula C10H8F4O3 and molecular weight 252.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(1,1,2,2-tetrafluoroethoxy)benzoate
Also Known As: Methyl 4-(1,1,2,2-tetrafluoroethoxy)benzoate, Methyl4- benzoate, EINECS 301-235-4, Methyl4-(1,1,2,2-tetrafluoroethoxy)benzoate, Methyl-4-(1,1,2,2-tetrafluoroethoxy)benzoate
| Molecular Formula | C10H8F4O3 |
|---|---|
| Molecular Weight | 252.04 g/mol |
| LogP | 2.7099 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.04095 |
| Heavy Atoms | 17 |
| Complexity | 389.04242 |
Chemical Identifiers
| CAS Number | 93982-47-9 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)OC(C(F)F)(F)F |
Product Overview
Methyl 4-(1,1,2,2-tetrafluoroethoxy)benzoate (CAS 93982-47-9), with molecular formula C10H8F4O3 and molecular weight 252.04 g/mol. IUPAC: methyl 4-(1,1,2,2-tetrafluoroethoxy)benzoate.
Chemical Property Profile of Methyl 4-(1,1,2,2-tetrafluoroethoxy)benzoate
Property Insights of Methyl 4-(1,1,2,2-tetrafluoroethoxy)benzoate
The XLogP value of 2.7099 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(1,1,2,2-tetrafluoroethoxy)benzoate. With a topological polar surface area (TPSA) of 35.53 Ų, Methyl 4-(1,1,2,2-tetrafluoroethoxy)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-(1,1,2,2-tetrafluoroethoxy)benzoate has 0 hydrogen bond donor(s) and 3 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-(1,1,2,2-tetrafluoroethoxy)benzoate?
The CAS number of Methyl 4-(1,1,2,2-tetrafluoroethoxy)benzoate is 93982-47-9.
What is the molecular formula of Methyl 4-(1,1,2,2-tetrafluoroethoxy)benzoate?
The molecular formula of Methyl 4-(1,1,2,2-tetrafluoroethoxy)benzoate is C10H8F4O3.
What is the molecular weight of Methyl 4-(1,1,2,2-tetrafluoroethoxy)benzoate?
The molecular weight of Methyl 4-(1,1,2,2-tetrafluoroethoxy)benzoate is 252.04 g/mol.
Where can I buy Methyl 4-(1,1,2,2-tetrafluoroethoxy)benzoate?
You can request a quote for Methyl 4-(1,1,2,2-tetrafluoroethoxy)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(1,1,2,2-tetrafluoroethoxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(1,1,2,2-tetrafluoroethoxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.