trans-1,4-Diphenyl-2-butene-1,4-dione
TL;DR: trans-1,4-Diphenyl-2-butene-1,4-dione (CAS 4070-75-1) is a chemical compound with molecular formula C16H12O2 and molecular weight 236.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1,4-diphenylbut-2-ene-1,4-dione
Also Known As: trans-1,2-Dibenzoylethylene, Dibenzoylethylene, 1,2-Dibenzoylethylene, 1,2-Dibenzoylethene, trans-Diphenacylidene
| Molecular Formula | C16H12O2 |
|---|---|
| Molecular Weight | 236.08 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 236.08372 |
| Heavy Atoms | 18 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 4070-75-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)/C=C/C(=O)C2=CC=CC=C2 |
| InChIKey | WYCXGQSQHAXLPK-VAWYXSNFSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
trans-1,4-Diphenyl-2-butene-1,4-dione (CAS 4070-75-1), with molecular formula C16H12O2 and molecular weight 236.08 g/mol. IUPAC: (E)-1,4-diphenylbut-2-ene-1,4-dione.
Chemical Property Profile of trans-1,4-Diphenyl-2-butene-1,4-dione
Property Insights of trans-1,4-Diphenyl-2-butene-1,4-dione
The XLogP value of 3.2 indicates that trans-1,4-Diphenyl-2-butene-1,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, trans-1,4-Diphenyl-2-butene-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-1,4-Diphenyl-2-butene-1,4-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 trans-1,4-Diphenyl-2-butene-1,4-dione?
The CAS number of trans-1,4-Diphenyl-2-butene-1,4-dione is 4070-75-1.
What is the molecular formula of trans-1,4-Diphenyl-2-butene-1,4-dione?
The molecular formula of trans-1,4-Diphenyl-2-butene-1,4-dione is C16H12O2.
What is the molecular weight of trans-1,4-Diphenyl-2-butene-1,4-dione?
The molecular weight of trans-1,4-Diphenyl-2-butene-1,4-dione is 236.08 g/mol.
Where can I buy trans-1,4-Diphenyl-2-butene-1,4-dione?
You can request a quote for trans-1,4-Diphenyl-2-butene-1,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-1,4-Diphenyl-2-butene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for trans-1,4-Diphenyl-2-butene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.