(E)-3-(3-Bromo-4-fluorophenyl)acryloyl chloride
TL;DR: (E)-3-(3-Bromo-4-fluorophenyl)acryloyl chloride (CAS 676348-50-8) is a chemical compound with molecular formula C9H5BrClFO and molecular weight 261.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(3-bromo-4-fluorophenyl)prop-2-enoyl chloride
Also Known As: (E)-3-(3-Bromo-4-fluorophenyl)acryloyl chloride, (E)-3-(3-bromo-4-fluorophenyl)prop-2-enoyl chloride, 1,4-Benzenedicarbonitrile NN'-dioxide, 3-(3-Bromo-4-fluorophenyl)acryloyl chloride, 3-(3-bromo-4-fluoro-phenyl)-acryloyl chloride
| Molecular Formula | C9H5BrClFO |
|---|---|
| Molecular Weight | 261.92 g/mol |
| LogP | 3.3668 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 261.91962 |
| Heavy Atoms | 13 |
| Complexity | 362.6324 |
Chemical Identifiers
| CAS Number | 676348-50-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1/C=C/C(=O)Cl)Br)F |
Product Overview
(E)-3-(3-Bromo-4-fluorophenyl)acryloyl chloride (CAS 676348-50-8), with molecular formula C9H5BrClFO and molecular weight 261.92 g/mol. IUPAC: (E)-3-(3-bromo-4-fluorophenyl)prop-2-enoyl chloride.
Chemical Property Profile of (E)-3-(3-Bromo-4-fluorophenyl)acryloyl chloride
Property Insights of (E)-3-(3-Bromo-4-fluorophenyl)acryloyl chloride
The XLogP value of 3.3668 indicates that (E)-3-(3-Bromo-4-fluorophenyl)acryloyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, (E)-3-(3-Bromo-4-fluorophenyl)acryloyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3-(3-Bromo-4-fluorophenyl)acryloyl chloride has 0 hydrogen bond donor(s) and 1 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 (E)-3-(3-Bromo-4-fluorophenyl)acryloyl chloride?
The CAS number of (E)-3-(3-Bromo-4-fluorophenyl)acryloyl chloride is 676348-50-8.
What is the molecular formula of (E)-3-(3-Bromo-4-fluorophenyl)acryloyl chloride?
The molecular formula of (E)-3-(3-Bromo-4-fluorophenyl)acryloyl chloride is C9H5BrClFO.
What is the molecular weight of (E)-3-(3-Bromo-4-fluorophenyl)acryloyl chloride?
The molecular weight of (E)-3-(3-Bromo-4-fluorophenyl)acryloyl chloride is 261.92 g/mol.
Where can I buy (E)-3-(3-Bromo-4-fluorophenyl)acryloyl chloride?
You can request a quote for (E)-3-(3-Bromo-4-fluorophenyl)acryloyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-(3-Bromo-4-fluorophenyl)acryloyl chloride?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(3-Bromo-4-fluorophenyl)acryloyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.