1,3-Bis(4-nitrophenyl)prop-2-en-1-one
TL;DR: 1,3-Bis(4-nitrophenyl)prop-2-en-1-one (CAS 25870-67-1) is a chemical compound with molecular formula C15H10N2O5 and molecular weight 298.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis(4-nitrophenyl)prop-2-en-1-one
Also Known As: 4,4'-Dinitrochalcone, 4,4'-dinitro-chalcone, 1,3-bis(4-nitrophenyl)prop-2-en-1-one
| Molecular Formula | C15H10N2O5 |
|---|---|
| Molecular Weight | 298.06 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.05896 |
| Heavy Atoms | 22 |
| Complexity | 450.0 |
Chemical Identifiers
| CAS Number | 25870-67-1 |
|---|---|
| SMILES | C1=CC(=CC=C1C=CC(=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | VVTIIOZTCXSWKR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Bis(4-nitrophenyl)prop-2-en-1-one (CAS 25870-67-1), with molecular formula C15H10N2O5 and molecular weight 298.06 g/mol. IUPAC: 1,3-bis(4-nitrophenyl)prop-2-en-1-one.
Chemical Property Profile of 1,3-Bis(4-nitrophenyl)prop-2-en-1-one
Property Insights of 1,3-Bis(4-nitrophenyl)prop-2-en-1-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Bis(4-nitrophenyl)prop-2-en-1-one. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Bis(4-nitrophenyl)prop-2-en-1-one. Following Lipinski's Rule of Five, 1,3-Bis(4-nitrophenyl)prop-2-en-1-one has 0 hydrogen bond donor(s) and 5 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 1,3-Bis(4-nitrophenyl)prop-2-en-1-one?
The CAS number of 1,3-Bis(4-nitrophenyl)prop-2-en-1-one is 25870-67-1.
What is the molecular formula of 1,3-Bis(4-nitrophenyl)prop-2-en-1-one?
The molecular formula of 1,3-Bis(4-nitrophenyl)prop-2-en-1-one is C15H10N2O5.
What is the molecular weight of 1,3-Bis(4-nitrophenyl)prop-2-en-1-one?
The molecular weight of 1,3-Bis(4-nitrophenyl)prop-2-en-1-one is 298.06 g/mol.
Where can I buy 1,3-Bis(4-nitrophenyl)prop-2-en-1-one?
You can request a quote for 1,3-Bis(4-nitrophenyl)prop-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Bis(4-nitrophenyl)prop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Bis(4-nitrophenyl)prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.