(E)-3-bromo-3-phenylprop-2-enoic acid
TL;DR: (E)-3-bromo-3-phenylprop-2-enoic acid (CAS 704-77-8) is a chemical compound with molecular formula C9H7BrO2 and molecular weight 225.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-bromo-3-phenylprop-2-enoic acid
Also Known As: (E)-3-bromo-3-phenylprop-2-enoic acid, beta-Bromo-cis-cinnamic acid, 3-Bromo-3-phenylacrylic acid, (E)-beta-Bromoallocinnamic acid, (Z)-3-bromo-3-phenylprop-2-enoic acid
| Molecular Formula | C9H7BrO2 |
|---|---|
| Molecular Weight | 225.96 g/mol |
| LogP | 2.507 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 225.96294 |
| Heavy Atoms | 12 |
| Complexity | 303.5644 |
Chemical Identifiers
| CAS Number | 704-77-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C(=C\C(=O)O)/Br |
Product Overview
(E)-3-bromo-3-phenylprop-2-enoic acid (CAS 704-77-8), with molecular formula C9H7BrO2 and molecular weight 225.96 g/mol. IUPAC: (E)-3-bromo-3-phenylprop-2-enoic acid.
Chemical Property Profile of (E)-3-bromo-3-phenylprop-2-enoic acid
Property Insights of (E)-3-bromo-3-phenylprop-2-enoic acid
The XLogP value of 2.507 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-bromo-3-phenylprop-2-enoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, (E)-3-bromo-3-phenylprop-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3-bromo-3-phenylprop-2-enoic acid has 1 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-bromo-3-phenylprop-2-enoic acid?
The CAS number of (E)-3-bromo-3-phenylprop-2-enoic acid is 704-77-8.
What is the molecular formula of (E)-3-bromo-3-phenylprop-2-enoic acid?
The molecular formula of (E)-3-bromo-3-phenylprop-2-enoic acid is C9H7BrO2.
What is the molecular weight of (E)-3-bromo-3-phenylprop-2-enoic acid?
The molecular weight of (E)-3-bromo-3-phenylprop-2-enoic acid is 225.96 g/mol.
Where can I buy (E)-3-bromo-3-phenylprop-2-enoic acid?
You can request a quote for (E)-3-bromo-3-phenylprop-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-bromo-3-phenylprop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-bromo-3-phenylprop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.