1,2-Bis(4-methylphenyl)-1,2-ethanedione
TL;DR: 1,2-Bis(4-methylphenyl)-1,2-ethanedione (CAS 3457-48-5) 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.
1,2-bis(4-methylphenyl)ethane-1,2-dione
Also Known As: 4,4'-Dimethylbenzil, 1,2-Di-p-tolylethane-1,2-dione, p-Tolil, 4,4-Dimethylbenzil, Di-p-tolylethanedione
| Molecular Formula | C16H14O2 |
|---|---|
| Molecular Weight | 238.10 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 238.09938 |
| Heavy Atoms | 18 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 3457-48-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)C |
| InChIKey | BCWCEHMHCDCJAD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Bis(4-methylphenyl)-1,2-ethanedione (CAS 3457-48-5), with molecular formula C16H14O2 and molecular weight 238.10 g/mol. IUPAC: 1,2-bis(4-methylphenyl)ethane-1,2-dione.
Chemical Property Profile of 1,2-Bis(4-methylphenyl)-1,2-ethanedione
Property Insights of 1,2-Bis(4-methylphenyl)-1,2-ethanedione
The XLogP value of 4.1 indicates that 1,2-Bis(4-methylphenyl)-1,2-ethanedione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, 1,2-Bis(4-methylphenyl)-1,2-ethanedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Bis(4-methylphenyl)-1,2-ethanedione 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 1,2-Bis(4-methylphenyl)-1,2-ethanedione?
The CAS number of 1,2-Bis(4-methylphenyl)-1,2-ethanedione is 3457-48-5.
What is the molecular formula of 1,2-Bis(4-methylphenyl)-1,2-ethanedione?
The molecular formula of 1,2-Bis(4-methylphenyl)-1,2-ethanedione is C16H14O2.
What is the molecular weight of 1,2-Bis(4-methylphenyl)-1,2-ethanedione?
The molecular weight of 1,2-Bis(4-methylphenyl)-1,2-ethanedione is 238.10 g/mol.
Where can I buy 1,2-Bis(4-methylphenyl)-1,2-ethanedione?
You can request a quote for 1,2-Bis(4-methylphenyl)-1,2-ethanedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Bis(4-methylphenyl)-1,2-ethanedione?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Bis(4-methylphenyl)-1,2-ethanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.