3-fluorophenyl (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-propenoate
TL;DR: 3-fluorophenyl (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-propenoate (CAS 478259-17-5) is a chemical compound with molecular formula C16H10BrFO4 and molecular weight 363.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-fluorophenyl) 3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoate
Also Known As: Bionet1_004763, 3-fluorophenyl (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-propenoate, (3-fluorophenyl) 3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoate
| Molecular Formula | C16H10BrFO4 |
|---|---|
| Molecular Weight | 363.97 g/mol |
| LogP | 3.9357 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 363.97464 |
| Heavy Atoms | 22 |
| Complexity | 757.80615 |
Chemical Identifiers
| CAS Number | 478259-17-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)C=CC(=O)OC3=CC(=CC=C3)F)Br |
Product Overview
3-fluorophenyl (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-propenoate (CAS 478259-17-5), with molecular formula C16H10BrFO4 and molecular weight 363.97 g/mol. IUPAC: (3-fluorophenyl) 3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoate.
Chemical Property Profile of 3-fluorophenyl (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-propenoate
Property Insights of 3-fluorophenyl (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-propenoate
The XLogP value of 3.9357 indicates that 3-fluorophenyl (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-propenoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.76 Ų, 3-fluorophenyl (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-propenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-fluorophenyl (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-propenoate 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 3-fluorophenyl (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-propenoate?
The CAS number of 3-fluorophenyl (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-propenoate is 478259-17-5.
What is the molecular formula of 3-fluorophenyl (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-propenoate?
The molecular formula of 3-fluorophenyl (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-propenoate is C16H10BrFO4.
What is the molecular weight of 3-fluorophenyl (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-propenoate?
The molecular weight of 3-fluorophenyl (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-propenoate is 363.97 g/mol.
Where can I buy 3-fluorophenyl (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-propenoate?
You can request a quote for 3-fluorophenyl (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-propenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-fluorophenyl (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-propenoate?
Yes, KEHONG BIO provides custom synthesis services for 3-fluorophenyl (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-propenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.