(2,4-difluorophenyl)methyl (E)-3-phenylprop-2-enoate
TL;DR: (2,4-difluorophenyl)methyl (E)-3-phenylprop-2-enoate (CAS 303133-72-4) is a chemical compound with molecular formula C16H12F2O2 and molecular weight 274.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4-difluorophenyl)methyl (E)-3-phenylprop-2-enoate
Also Known As: 2,4-difluorobenzyl 3-phenylacrylate, BAS 00898452, (2,4-difluorophenyl)methyl (E)-3-phenylprop-2-enoate, 2,4-difluorobenzyl (2E)-3-phenylprop-2-enoate, 3-Phenyl-acrylic acid 2,4-difluoro-benzyl ester
| Molecular Formula | C16H12F2O2 |
|---|---|
| Molecular Weight | 274.08 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 274.08054 |
| Heavy Atoms | 20 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 303133-72-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/C(=O)OCC2=C(C=C(C=C2)F)F |
| InChIKey | WOSKCTBGZNPHLL-RMKNXTFCSA-N |
Product Overview
(2,4-difluorophenyl)methyl (E)-3-phenylprop-2-enoate (CAS 303133-72-4), with molecular formula C16H12F2O2 and molecular weight 274.08 g/mol. IUPAC: (2,4-difluorophenyl)methyl (E)-3-phenylprop-2-enoate.
Chemical Property Profile of (2,4-difluorophenyl)methyl (E)-3-phenylprop-2-enoate
Property Insights of (2,4-difluorophenyl)methyl (E)-3-phenylprop-2-enoate
The XLogP value of 3.9 indicates that (2,4-difluorophenyl)methyl (E)-3-phenylprop-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, (2,4-difluorophenyl)methyl (E)-3-phenylprop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2,4-difluorophenyl)methyl (E)-3-phenylprop-2-enoate 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 (2,4-difluorophenyl)methyl (E)-3-phenylprop-2-enoate?
The CAS number of (2,4-difluorophenyl)methyl (E)-3-phenylprop-2-enoate is 303133-72-4.
What is the molecular formula of (2,4-difluorophenyl)methyl (E)-3-phenylprop-2-enoate?
The molecular formula of (2,4-difluorophenyl)methyl (E)-3-phenylprop-2-enoate is C16H12F2O2.
What is the molecular weight of (2,4-difluorophenyl)methyl (E)-3-phenylprop-2-enoate?
The molecular weight of (2,4-difluorophenyl)methyl (E)-3-phenylprop-2-enoate is 274.08 g/mol.
Where can I buy (2,4-difluorophenyl)methyl (E)-3-phenylprop-2-enoate?
You can request a quote for (2,4-difluorophenyl)methyl (E)-3-phenylprop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,4-difluorophenyl)methyl (E)-3-phenylprop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for (2,4-difluorophenyl)methyl (E)-3-phenylprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.