4-Formyl-2-methoxyphenyl 4-fluorobenzoate
TL;DR: 4-Formyl-2-methoxyphenyl 4-fluorobenzoate (CAS 321726-13-0) is a chemical compound with molecular formula C15H11FO4 and molecular weight 274.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-formyl-2-methoxyphenyl) 4-fluorobenzoate
Also Known As: 4-formyl-2-methoxyphenyl 4-fluorobenzoate, (4-formyl-2-methoxyphenyl) 4-fluorobenzoate, 4-Fluoro-benzoic acid 4-formyl-2-methoxy-phenyl ester, 4-formyl-2-methoxyphenyl4-fluorobenzoate, (4-formyl-2-methoxy-phenyl) 4-fluorobenzoate
| Molecular Formula | C15H11FO4 |
|---|---|
| Molecular Weight | 274.06 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 274.06415 |
| Heavy Atoms | 20 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 321726-13-0 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C=O)OC(=O)C2=CC=C(C=C2)F |
| InChIKey | FFZDAPSMYHGRBQ-UHFFFAOYSA-N |
Product Overview
4-Formyl-2-methoxyphenyl 4-fluorobenzoate (CAS 321726-13-0), with molecular formula C15H11FO4 and molecular weight 274.06 g/mol. IUPAC: (4-formyl-2-methoxyphenyl) 4-fluorobenzoate.
Chemical Property Profile of 4-Formyl-2-methoxyphenyl 4-fluorobenzoate
Property Insights of 4-Formyl-2-methoxyphenyl 4-fluorobenzoate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Formyl-2-methoxyphenyl 4-fluorobenzoate. With a topological polar surface area (TPSA) of 52.6 Ų, 4-Formyl-2-methoxyphenyl 4-fluorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Formyl-2-methoxyphenyl 4-fluorobenzoate has 0 hydrogen bond donor(s) and 5 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 4-Formyl-2-methoxyphenyl 4-fluorobenzoate?
The CAS number of 4-Formyl-2-methoxyphenyl 4-fluorobenzoate is 321726-13-0.
What is the molecular formula of 4-Formyl-2-methoxyphenyl 4-fluorobenzoate?
The molecular formula of 4-Formyl-2-methoxyphenyl 4-fluorobenzoate is C15H11FO4.
What is the molecular weight of 4-Formyl-2-methoxyphenyl 4-fluorobenzoate?
The molecular weight of 4-Formyl-2-methoxyphenyl 4-fluorobenzoate is 274.06 g/mol.
Where can I buy 4-Formyl-2-methoxyphenyl 4-fluorobenzoate?
You can request a quote for 4-Formyl-2-methoxyphenyl 4-fluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Formyl-2-methoxyphenyl 4-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Formyl-2-methoxyphenyl 4-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.