(3-Formylphenyl) 4-fluorobenzoate
TL;DR: (3-Formylphenyl) 4-fluorobenzoate (CAS 444076-31-7) is a chemical compound with molecular formula C14H9FO3 and molecular weight 244.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-formylphenyl) 4-fluorobenzoate
Also Known As: 3-formylphenyl 4-fluorobenzoate, (3-formylphenyl) 4-fluorobenzoate
| Molecular Formula | C14H9FO3 |
|---|---|
| Molecular Weight | 244.05 g/mol |
| LogP | 2.8574 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 244.05357 |
| Heavy Atoms | 18 |
| Complexity | 575.8479 |
Chemical Identifiers
| CAS Number | 444076-31-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OC(=O)C2=CC=C(C=C2)F)C=O |
Product Overview
(3-Formylphenyl) 4-fluorobenzoate (CAS 444076-31-7), with molecular formula C14H9FO3 and molecular weight 244.05 g/mol. IUPAC: (3-formylphenyl) 4-fluorobenzoate.
Chemical Property Profile of (3-Formylphenyl) 4-fluorobenzoate
Property Insights of (3-Formylphenyl) 4-fluorobenzoate
The XLogP value of 2.8574 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Formylphenyl) 4-fluorobenzoate. With a topological polar surface area (TPSA) of 43.37 Ų, (3-Formylphenyl) 4-fluorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Formylphenyl) 4-fluorobenzoate 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 (3-Formylphenyl) 4-fluorobenzoate?
The CAS number of (3-Formylphenyl) 4-fluorobenzoate is 444076-31-7.
What is the molecular formula of (3-Formylphenyl) 4-fluorobenzoate?
The molecular formula of (3-Formylphenyl) 4-fluorobenzoate is C14H9FO3.
What is the molecular weight of (3-Formylphenyl) 4-fluorobenzoate?
The molecular weight of (3-Formylphenyl) 4-fluorobenzoate is 244.05 g/mol.
Where can I buy (3-Formylphenyl) 4-fluorobenzoate?
You can request a quote for (3-Formylphenyl) 4-fluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Formylphenyl) 4-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (3-Formylphenyl) 4-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.