3-(4-Bromobenzylidene)-2,4-pentanedione
TL;DR: 3-(4-Bromobenzylidene)-2,4-pentanedione (CAS 15795-19-4) is a chemical compound with molecular formula C12H11BrO2 and molecular weight 265.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-bromophenyl)methylidene]pentane-2,4-dione
Also Known As: 3-(4-Bromobenzylidene)-2,4-pentanedione, ACETYLACETONE,4-BROMOBENZAL, 3-(4-bromobenzylidene)pentane-2,4-dione, 3-[(4-bromophenyl)methylidene]pentane-2,4-dione, 4'-bromo-3-benzylidene-2,4-pentanedione
| Molecular Formula | C12H11BrO2 |
|---|---|
| Molecular Weight | 265.99 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 | 265.99423 |
| Heavy Atoms | 15 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 15795-19-4 |
|---|---|
| SMILES | CC(=O)C(=CC1=CC=C(C=C1)Br)C(=O)C |
| InChIKey | QITTYBACPUVFRT-UHFFFAOYSA-N |
Product Overview
3-(4-Bromobenzylidene)-2,4-pentanedione (CAS 15795-19-4), with molecular formula C12H11BrO2 and molecular weight 265.99 g/mol. IUPAC: 3-[(4-bromophenyl)methylidene]pentane-2,4-dione.
Chemical Property Profile of 3-(4-Bromobenzylidene)-2,4-pentanedione
Property Insights of 3-(4-Bromobenzylidene)-2,4-pentanedione
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Bromobenzylidene)-2,4-pentanedione. With a topological polar surface area (TPSA) of 34.1 Ų, 3-(4-Bromobenzylidene)-2,4-pentanedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Bromobenzylidene)-2,4-pentanedione 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 3-(4-Bromobenzylidene)-2,4-pentanedione?
The CAS number of 3-(4-Bromobenzylidene)-2,4-pentanedione is 15795-19-4.
What is the molecular formula of 3-(4-Bromobenzylidene)-2,4-pentanedione?
The molecular formula of 3-(4-Bromobenzylidene)-2,4-pentanedione is C12H11BrO2.
What is the molecular weight of 3-(4-Bromobenzylidene)-2,4-pentanedione?
The molecular weight of 3-(4-Bromobenzylidene)-2,4-pentanedione is 265.99 g/mol.
Where can I buy 3-(4-Bromobenzylidene)-2,4-pentanedione?
You can request a quote for 3-(4-Bromobenzylidene)-2,4-pentanedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Bromobenzylidene)-2,4-pentanedione?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Bromobenzylidene)-2,4-pentanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.