4-Methylphenyl (4-fluorophenoxy)acetate
TL;DR: 4-Methylphenyl (4-fluorophenoxy)acetate (CAS 431056-94-9) is a chemical compound with molecular formula C15H13FO3 and molecular weight 260.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methylphenyl) 2-(4-fluorophenoxy)acetate
Also Known As: p-tolyl 2-(4-fluorophenoxy)acetate, 4-methylphenyl (4-fluorophenoxy)acetate, 4-methylphenyl 2-(4-fluorophenoxy)acetate, (4-methylphenyl) 2-(4-fluorophenoxy)acetate
| Molecular Formula | C15H13FO3 |
|---|---|
| Molecular Weight | 260.08 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 260.08487 |
| Heavy Atoms | 19 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 431056-94-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OC(=O)COC2=CC=C(C=C2)F |
| InChIKey | ZOBZZJXWVFCHCB-UHFFFAOYSA-N |
Product Overview
4-Methylphenyl (4-fluorophenoxy)acetate (CAS 431056-94-9), with molecular formula C15H13FO3 and molecular weight 260.08 g/mol. IUPAC: (4-methylphenyl) 2-(4-fluorophenoxy)acetate.
Chemical Property Profile of 4-Methylphenyl (4-fluorophenoxy)acetate
Property Insights of 4-Methylphenyl (4-fluorophenoxy)acetate
The XLogP value of 3.8 indicates that 4-Methylphenyl (4-fluorophenoxy)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 4-Methylphenyl (4-fluorophenoxy)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylphenyl (4-fluorophenoxy)acetate has 0 hydrogen bond donor(s) and 4 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-Methylphenyl (4-fluorophenoxy)acetate?
The CAS number of 4-Methylphenyl (4-fluorophenoxy)acetate is 431056-94-9.
What is the molecular formula of 4-Methylphenyl (4-fluorophenoxy)acetate?
The molecular formula of 4-Methylphenyl (4-fluorophenoxy)acetate is C15H13FO3.
What is the molecular weight of 4-Methylphenyl (4-fluorophenoxy)acetate?
The molecular weight of 4-Methylphenyl (4-fluorophenoxy)acetate is 260.08 g/mol.
Where can I buy 4-Methylphenyl (4-fluorophenoxy)acetate?
You can request a quote for 4-Methylphenyl (4-fluorophenoxy)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylphenyl (4-fluorophenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylphenyl (4-fluorophenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.