1,4-Diphenyl-1,4-butanedione
TL;DR: 1,4-Diphenyl-1,4-butanedione (CAS 66952-39-4) is a chemical compound with molecular formula C16H14O2 and molecular weight 238.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-diphenylbutane-1,4-dione
Also Known As: 1,2-Dibenzoylethane, 1,4-diphenylbutane-1,4-dione, Biphenacyl, Dibenzoylethane, 1,4-Diphenyl-1,4-butanedione
| Molecular Formula | C16H14O2 |
|---|---|
| Molecular Weight | 238.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 238.09938 |
| Heavy Atoms | 18 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 66952-39-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CCC(=O)C2=CC=CC=C2 |
| InChIKey | OSWWFLDIIGGSJV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Diphenyl-1,4-butanedione (CAS 66952-39-4), with molecular formula C16H14O2 and molecular weight 238.10 g/mol. IUPAC: 1,4-diphenylbutane-1,4-dione.
Chemical Property Profile of 1,4-Diphenyl-1,4-butanedione
Property Insights of 1,4-Diphenyl-1,4-butanedione
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Diphenyl-1,4-butanedione. With a topological polar surface area (TPSA) of 34.1 Ų, 1,4-Diphenyl-1,4-butanedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 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 1,4-Diphenyl-1,4-butanedione?
The CAS number of 1,4-Diphenyl-1,4-butanedione is 66952-39-4.
What is the molecular formula of 1,4-Diphenyl-1,4-butanedione?
The molecular formula of 1,4-Diphenyl-1,4-butanedione is C16H14O2.
What is the molecular weight of 1,4-Diphenyl-1,4-butanedione?
The molecular weight of 1,4-Diphenyl-1,4-butanedione is 238.10 g/mol.
Where can I buy 1,4-Diphenyl-1,4-butanedione?
You can request a quote for 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 1,4-Diphenyl-1,4-butanedione?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Diphenyl-1,4-butanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.