2-Bromo-1,4-diphenyl-1,4-butanedione
TL;DR: 2-Bromo-1,4-diphenyl-1,4-butanedione (CAS 6319-66-0) is a chemical compound with molecular formula C16H13BrO2 and molecular weight 316.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-1,4-diphenylbutane-1,4-dione
Also Known As: 2-Bromo-1,4-diphenyl-1,4-butanedione, 2-bromo-1,4-diphenylbutane-1,4-dione, 1, 2-bromo-1,4-diphenyl-, 1,4-Diphenyl-2-bromo-1,4-butanedione, 1,4-Diphenyl-2-bromobutane-1,4-dione
| Molecular Formula | C16H13BrO2 |
|---|---|
| Molecular Weight | 316.01 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 316.0099 |
| Heavy Atoms | 19 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 6319-66-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CC(C(=O)C2=CC=CC=C2)Br |
| InChIKey | POAJBEKARGGZCV-UHFFFAOYSA-N |
Product Overview
2-Bromo-1,4-diphenyl-1,4-butanedione (CAS 6319-66-0), with molecular formula C16H13BrO2 and molecular weight 316.01 g/mol. IUPAC: 2-bromo-1,4-diphenylbutane-1,4-dione.
Chemical Property Profile of 2-Bromo-1,4-diphenyl-1,4-butanedione
Property Insights of 2-Bromo-1,4-diphenyl-1,4-butanedione
The XLogP value of 3.7 indicates that 2-Bromo-1,4-diphenyl-1,4-butanedione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, 2-Bromo-1,4-diphenyl-1,4-butanedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-1,4-diphenyl-1,4-butanedione 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-1,4-diphenyl-1,4-butanedione?
The CAS number of 2-Bromo-1,4-diphenyl-1,4-butanedione is 6319-66-0.
What is the molecular formula of 2-Bromo-1,4-diphenyl-1,4-butanedione?
The molecular formula of 2-Bromo-1,4-diphenyl-1,4-butanedione is C16H13BrO2.
What is the molecular weight of 2-Bromo-1,4-diphenyl-1,4-butanedione?
The molecular weight of 2-Bromo-1,4-diphenyl-1,4-butanedione is 316.01 g/mol.
Where can I buy 2-Bromo-1,4-diphenyl-1,4-butanedione?
You can request a quote for 2-Bromo-1,4-diphenyl-1,4-butanedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-1,4-diphenyl-1,4-butanedione?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-1,4-diphenyl-1,4-butanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.