2-Bromo-1-phenylbutane-1,3-dione
TL;DR: 2-Bromo-1-phenylbutane-1,3-dione (CAS 57626-33-2) is a chemical compound with molecular formula C10H9BrO2 and molecular weight 239.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-1-phenylbutane-1,3-dione
Also Known As: 2-bromo-1-phenylbutane-1,3-dione, 1,3-Butanedione, 2-bromo-1-phenyl-, alpha-Bromo-beta-oxobutyrophenone, 1,3-Butanedione,2-bromo-1-phenyl, 1-Phenyl-2-bromo-1,3-butanedione
| Molecular Formula | C10H9BrO2 |
|---|---|
| Molecular Weight | 239.98 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 239.97859 |
| Heavy Atoms | 13 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 57626-33-2 |
|---|---|
| SMILES | CC(=O)C(C(=O)C1=CC=CC=C1)Br |
| InChIKey | OHHOGWYNHFMXIF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromo-1-phenylbutane-1,3-dione (CAS 57626-33-2), with molecular formula C10H9BrO2 and molecular weight 239.98 g/mol. IUPAC: 2-bromo-1-phenylbutane-1,3-dione.
Chemical Property Profile of 2-Bromo-1-phenylbutane-1,3-dione
Property Insights of 2-Bromo-1-phenylbutane-1,3-dione
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-1-phenylbutane-1,3-dione. With a topological polar surface area (TPSA) of 34.1 Ų, 2-Bromo-1-phenylbutane-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-1-phenylbutane-1,3-dione has 0 hydrogen bond donor(s) and 2 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-Bromo-1-phenylbutane-1,3-dione?
The CAS number of 2-Bromo-1-phenylbutane-1,3-dione is 57626-33-2.
What is the molecular formula of 2-Bromo-1-phenylbutane-1,3-dione?
The molecular formula of 2-Bromo-1-phenylbutane-1,3-dione is C10H9BrO2.
What is the molecular weight of 2-Bromo-1-phenylbutane-1,3-dione?
The molecular weight of 2-Bromo-1-phenylbutane-1,3-dione is 239.98 g/mol.
Where can I buy 2-Bromo-1-phenylbutane-1,3-dione?
You can request a quote for 2-Bromo-1-phenylbutane-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-1-phenylbutane-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-1-phenylbutane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.