3-Bromo-4-oxo-4-phenylbutanoic acid
TL;DR: 3-Bromo-4-oxo-4-phenylbutanoic acid (CAS 6004-88-2) is a chemical compound with molecular formula C10H9BrO3 and molecular weight 255.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-4-oxo-4-phenylbutanoic acid
Also Known As: 3-bromo-4-oxo-4-phenylbutanoic acid, bromooxophenylbutanoicacid, 3-benzoyl-3-bromo-propionic acid, 3-benzoyl-3-bromo propionic acid, 3-BROMO-4-OXO-4-PHENYLBUTANOICACID
| Molecular Formula | C10H9BrO3 |
|---|---|
| Molecular Weight | 255.97 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 255.97351 |
| Heavy Atoms | 14 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 6004-88-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C(CC(=O)O)Br |
| InChIKey | VPUHMOLSUUYGEJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Bromo-4-oxo-4-phenylbutanoic acid (CAS 6004-88-2), with molecular formula C10H9BrO3 and molecular weight 255.97 g/mol. IUPAC: 3-bromo-4-oxo-4-phenylbutanoic acid.
Chemical Property Profile of 3-Bromo-4-oxo-4-phenylbutanoic acid
Property Insights of 3-Bromo-4-oxo-4-phenylbutanoic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-4-oxo-4-phenylbutanoic acid. With a topological polar surface area (TPSA) of 54.4 Ų, 3-Bromo-4-oxo-4-phenylbutanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-4-oxo-4-phenylbutanoic 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 3-Bromo-4-oxo-4-phenylbutanoic acid?
The CAS number of 3-Bromo-4-oxo-4-phenylbutanoic acid is 6004-88-2.
What is the molecular formula of 3-Bromo-4-oxo-4-phenylbutanoic acid?
The molecular formula of 3-Bromo-4-oxo-4-phenylbutanoic acid is C10H9BrO3.
What is the molecular weight of 3-Bromo-4-oxo-4-phenylbutanoic acid?
The molecular weight of 3-Bromo-4-oxo-4-phenylbutanoic acid is 255.97 g/mol.
Where can I buy 3-Bromo-4-oxo-4-phenylbutanoic acid?
You can request a quote for 3-Bromo-4-oxo-4-phenylbutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-4-oxo-4-phenylbutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-4-oxo-4-phenylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.