4-(4-Bromophenyl)-4-oxobut-2-enoic acid
TL;DR: 4-(4-Bromophenyl)-4-oxobut-2-enoic acid (CAS 20972-38-7) is a chemical compound with molecular formula C10H7BrO3 and molecular weight 253.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-bromophenyl)-4-oxobut-2-enoic acid
Also Known As: 3-(4-Bromobenzoyl)acrylic acid, 4-(4-bromophenyl)-4-oxobut-2-enoic acid, 3-(4-Bromobenzoyl)-acrylic acid, 2-Butenoic acid,4-(4-bromophenyl)-4-oxo-, (E)-4-(4-bromophenyl)-4-oxobut-2-enoic acid
| Molecular Formula | C10H7BrO3 |
|---|---|
| Molecular Weight | 253.96 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 253.95786 |
| Heavy Atoms | 14 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 20972-38-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)C=CC(=O)O)Br |
| InChIKey | CJNVLFPUEBQQMZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(4-Bromophenyl)-4-oxobut-2-enoic acid (CAS 20972-38-7), with molecular formula C10H7BrO3 and molecular weight 253.96 g/mol. IUPAC: 4-(4-bromophenyl)-4-oxobut-2-enoic acid.
Chemical Property Profile of 4-(4-Bromophenyl)-4-oxobut-2-enoic acid
Property Insights of 4-(4-Bromophenyl)-4-oxobut-2-enoic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Bromophenyl)-4-oxobut-2-enoic acid. With a topological polar surface area (TPSA) of 54.4 Ų, 4-(4-Bromophenyl)-4-oxobut-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Bromophenyl)-4-oxobut-2-enoic 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 4-(4-Bromophenyl)-4-oxobut-2-enoic acid?
The CAS number of 4-(4-Bromophenyl)-4-oxobut-2-enoic acid is 20972-38-7.
What is the molecular formula of 4-(4-Bromophenyl)-4-oxobut-2-enoic acid?
The molecular formula of 4-(4-Bromophenyl)-4-oxobut-2-enoic acid is C10H7BrO3.
What is the molecular weight of 4-(4-Bromophenyl)-4-oxobut-2-enoic acid?
The molecular weight of 4-(4-Bromophenyl)-4-oxobut-2-enoic acid is 253.96 g/mol.
Where can I buy 4-(4-Bromophenyl)-4-oxobut-2-enoic acid?
You can request a quote for 4-(4-Bromophenyl)-4-oxobut-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 4-(4-Bromophenyl)-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Bromophenyl)-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.