1-(4-Butyrylphenyl)-2-(4-nitrophenyl)ethane
TL;DR: 1-(4-Butyrylphenyl)-2-(4-nitrophenyl)ethane (CAS 17302-70-4) is a chemical compound with molecular formula C18H19NO3 and molecular weight 297.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[2-(4-nitrophenyl)ethyl]phenyl]butan-1-one
Also Known As: 1-(4-Butyrylphenyl)-2-(4-nitrophenyl)ethane, methanethiol,deprotonated form, Butyrophenone, 4'-(p-nitrophenethyl)-, 1-[4-[2-(4-nitrophenyl)ethyl]phenyl]butan-1-one, 1-Butanone,1-[4-[2-(4-nitrophenyl)ethyl]phenyl]-
| Molecular Formula | C18H19NO3 |
|---|---|
| Molecular Weight | 297.14 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 297.1365 |
| Heavy Atoms | 22 |
| Complexity | 361.0 |
Chemical Identifiers
| CAS Number | 17302-70-4 |
|---|---|
| SMILES | CCCC(=O)C1=CC=C(C=C1)CCC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | HQXSMDGREYUOEZ-UHFFFAOYSA-N |
Product Overview
1-(4-Butyrylphenyl)-2-(4-nitrophenyl)ethane (CAS 17302-70-4), with molecular formula C18H19NO3 and molecular weight 297.14 g/mol. IUPAC: 1-[4-[2-(4-nitrophenyl)ethyl]phenyl]butan-1-one.
Chemical Property Profile of 1-(4-Butyrylphenyl)-2-(4-nitrophenyl)ethane
Property Insights of 1-(4-Butyrylphenyl)-2-(4-nitrophenyl)ethane
The XLogP value of 4.5 indicates that 1-(4-Butyrylphenyl)-2-(4-nitrophenyl)ethane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Butyrylphenyl)-2-(4-nitrophenyl)ethane. Following Lipinski's Rule of Five, 1-(4-Butyrylphenyl)-2-(4-nitrophenyl)ethane has 0 hydrogen bond donor(s) and 3 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-Butyrylphenyl)-2-(4-nitrophenyl)ethane?
The CAS number of 1-(4-Butyrylphenyl)-2-(4-nitrophenyl)ethane is 17302-70-4.
What is the molecular formula of 1-(4-Butyrylphenyl)-2-(4-nitrophenyl)ethane?
The molecular formula of 1-(4-Butyrylphenyl)-2-(4-nitrophenyl)ethane is C18H19NO3.
What is the molecular weight of 1-(4-Butyrylphenyl)-2-(4-nitrophenyl)ethane?
The molecular weight of 1-(4-Butyrylphenyl)-2-(4-nitrophenyl)ethane is 297.14 g/mol.
Where can I buy 1-(4-Butyrylphenyl)-2-(4-nitrophenyl)ethane?
You can request a quote for 1-(4-Butyrylphenyl)-2-(4-nitrophenyl)ethane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Butyrylphenyl)-2-(4-nitrophenyl)ethane?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Butyrylphenyl)-2-(4-nitrophenyl)ethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.