4-Fluorophenyl 4-(allyloxy)benzoate
TL;DR: 4-Fluorophenyl 4-(allyloxy)benzoate (CAS 86677-51-2) is a chemical compound with molecular formula C16H13FO3 and molecular weight 272.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-fluorophenyl) 4-prop-2-enoxybenzoate
Also Known As: 4-fluorophenyl 4-(allyloxy)benzoate, (4-fluorophenyl) 4-prop-2-enoxybenzoate, 4-(Allyloxy)benzoic acid 4-fluorophenyl ester, J2.557.557A, 4-fluorophenyl 4-(prop-2-en-1-yloxy)benzoate
| Molecular Formula | C16H13FO3 |
|---|---|
| Molecular Weight | 272.08 g/mol |
| LogP | 3.6097 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 272.08487 |
| Heavy Atoms | 20 |
| Complexity | 588.12396 |
Chemical Identifiers
| CAS Number | 86677-51-2 |
|---|---|
| SMILES | C=CCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)F |
Product Overview
4-Fluorophenyl 4-(allyloxy)benzoate (CAS 86677-51-2), with molecular formula C16H13FO3 and molecular weight 272.08 g/mol. IUPAC: (4-fluorophenyl) 4-prop-2-enoxybenzoate.
Chemical Property Profile of 4-Fluorophenyl 4-(allyloxy)benzoate
Property Insights of 4-Fluorophenyl 4-(allyloxy)benzoate
The XLogP value of 3.6097 indicates that 4-Fluorophenyl 4-(allyloxy)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, 4-Fluorophenyl 4-(allyloxy)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Fluorophenyl 4-(allyloxy)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 4-Fluorophenyl 4-(allyloxy)benzoate?
The CAS number of 4-Fluorophenyl 4-(allyloxy)benzoate is 86677-51-2.
What is the molecular formula of 4-Fluorophenyl 4-(allyloxy)benzoate?
The molecular formula of 4-Fluorophenyl 4-(allyloxy)benzoate is C16H13FO3.
What is the molecular weight of 4-Fluorophenyl 4-(allyloxy)benzoate?
The molecular weight of 4-Fluorophenyl 4-(allyloxy)benzoate is 272.08 g/mol.
Where can I buy 4-Fluorophenyl 4-(allyloxy)benzoate?
You can request a quote for 4-Fluorophenyl 4-(allyloxy)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Fluorophenyl 4-(allyloxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Fluorophenyl 4-(allyloxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.