![[2-(2,3-Dibromo-3-phenylpropanoyl)phenyl]acetic acid structure](/static/products/1147/114746-65-5.webp)
[2-(2,3-Dibromo-3-phenylpropanoyl)phenyl]acetic acid
TL;DR: [2-(2,3-Dibromo-3-phenylpropanoyl)phenyl]acetic acid (CAS 114746-65-5) is a chemical compound with molecular formula C17H14Br2O3 and molecular weight 423.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(2,3-dibromo-3-phenylpropanoyl)phenyl]acetic acid
Also Known As: KST-1A0689, [2-(2,3-dibromo-3-phenylpropanoyl)phenyl]acetic acid, eneacetic acid, 2-(2,3-dibromo-1-oxo-3-phenylpropyl)-, Benzeneacetic acid,2-(2,3-dibromo-1-oxo-3-phenylpropyl)-, 2-[2-(2,3-dibromo-3-phenylpropanoyl)phenyl]acetic acid
| Molecular Formula | C17H14Br2O3 |
|---|---|
| Molecular Weight | 423.93 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 423.93097 |
| Heavy Atoms | 22 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 114746-65-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C(C(=O)C2=CC=CC=C2CC(=O)O)Br)Br |
| InChIKey | KZQKENCWBMGRAC-UHFFFAOYSA-N |
Product Overview
[2-(2,3-Dibromo-3-phenylpropanoyl)phenyl]acetic acid (CAS 114746-65-5), with molecular formula C17H14Br2O3 and molecular weight 423.93 g/mol. IUPAC: 2-[2-(2,3-dibromo-3-phenylpropanoyl)phenyl]acetic acid.
Chemical Property Profile of [2-(2,3-Dibromo-3-phenylpropanoyl)phenyl]acetic acid
Property Insights of [2-(2,3-Dibromo-3-phenylpropanoyl)phenyl]acetic acid
The XLogP value of 4.2 indicates that [2-(2,3-Dibromo-3-phenylpropanoyl)phenyl]acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, [2-(2,3-Dibromo-3-phenylpropanoyl)phenyl]acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [2-(2,3-Dibromo-3-phenylpropanoyl)phenyl]acetic acid has 1 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 [2-(2,3-Dibromo-3-phenylpropanoyl)phenyl]acetic acid?
The CAS number of [2-(2,3-Dibromo-3-phenylpropanoyl)phenyl]acetic acid is 114746-65-5.
What is the molecular formula of [2-(2,3-Dibromo-3-phenylpropanoyl)phenyl]acetic acid?
The molecular formula of [2-(2,3-Dibromo-3-phenylpropanoyl)phenyl]acetic acid is C17H14Br2O3.
What is the molecular weight of [2-(2,3-Dibromo-3-phenylpropanoyl)phenyl]acetic acid?
The molecular weight of [2-(2,3-Dibromo-3-phenylpropanoyl)phenyl]acetic acid is 423.93 g/mol.
Where can I buy [2-(2,3-Dibromo-3-phenylpropanoyl)phenyl]acetic acid?
You can request a quote for [2-(2,3-Dibromo-3-phenylpropanoyl)phenyl]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-(2,3-Dibromo-3-phenylpropanoyl)phenyl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [2-(2,3-Dibromo-3-phenylpropanoyl)phenyl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.