![(E)-3-(4-chloro-3-nitroanilino)-1-[4-(3-fluoropropoxy)phenyl]-2-propen-1-one structure](/static/products/4780/478033-86-2.webp)
(E)-3-(4-chloro-3-nitroanilino)-1-[4-(3-fluoropropoxy)phenyl]-2-propen-1-one
TL;DR: (E)-3-(4-chloro-3-nitroanilino)-1-[4-(3-fluoropropoxy)phenyl]-2-propen-1-one (CAS 478033-86-2) is a chemical compound with molecular formula C18H16ClFN2O4 and molecular weight 378.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chloro-3-nitroanilino)-1-[4-(3-fluoropropoxy)phenyl]prop-2-en-1-one
Also Known As: Bionet1_003956, DivK1c_002452, CDS1_001412, (E)-3-(4-chloro-3-nitroanilino)-1-[4-(3-fluoropropoxy)phenyl]-2-propen-1-one, 3-(4-chloro-3-nitroanilino)-1-[4-(3-fluoropropoxy)phenyl]prop-2-en-1-one
| Molecular Formula | C18H16ClFN2O4 |
|---|---|
| Molecular Weight | 378.08 g/mol |
| LogP | 4.7951 |
| Topological Polar Surface Area | 81.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 378.07828 |
| Heavy Atoms | 26 |
| Complexity | 809.33844 |
Chemical Identifiers
| CAS Number | 478033-86-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)C=CNC2=CC(=C(C=C2)Cl)[N+](=O)[O-])OCCCF |
Product Overview
(E)-3-(4-chloro-3-nitroanilino)-1-[4-(3-fluoropropoxy)phenyl]-2-propen-1-one (CAS 478033-86-2), with molecular formula C18H16ClFN2O4 and molecular weight 378.08 g/mol. IUPAC: 3-(4-chloro-3-nitroanilino)-1-[4-(3-fluoropropoxy)phenyl]prop-2-en-1-one.
Chemical Property Profile of (E)-3-(4-chloro-3-nitroanilino)-1-[4-(3-fluoropropoxy)phenyl]-2-propen-1-one
Property Insights of (E)-3-(4-chloro-3-nitroanilino)-1-[4-(3-fluoropropoxy)phenyl]-2-propen-1-one
The XLogP value of 4.7951 indicates that (E)-3-(4-chloro-3-nitroanilino)-1-[4-(3-fluoropropoxy)phenyl]-2-propen-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.47 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(4-chloro-3-nitroanilino)-1-[4-(3-fluoropropoxy)phenyl]-2-propen-1-one. Following Lipinski's Rule of Five, (E)-3-(4-chloro-3-nitroanilino)-1-[4-(3-fluoropropoxy)phenyl]-2-propen-1-one has 1 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 (E)-3-(4-chloro-3-nitroanilino)-1-[4-(3-fluoropropoxy)phenyl]-2-propen-1-one?
The CAS number of (E)-3-(4-chloro-3-nitroanilino)-1-[4-(3-fluoropropoxy)phenyl]-2-propen-1-one is 478033-86-2.
What is the molecular formula of (E)-3-(4-chloro-3-nitroanilino)-1-[4-(3-fluoropropoxy)phenyl]-2-propen-1-one?
The molecular formula of (E)-3-(4-chloro-3-nitroanilino)-1-[4-(3-fluoropropoxy)phenyl]-2-propen-1-one is C18H16ClFN2O4.
What is the molecular weight of (E)-3-(4-chloro-3-nitroanilino)-1-[4-(3-fluoropropoxy)phenyl]-2-propen-1-one?
The molecular weight of (E)-3-(4-chloro-3-nitroanilino)-1-[4-(3-fluoropropoxy)phenyl]-2-propen-1-one is 378.08 g/mol.
Where can I buy (E)-3-(4-chloro-3-nitroanilino)-1-[4-(3-fluoropropoxy)phenyl]-2-propen-1-one?
You can request a quote for (E)-3-(4-chloro-3-nitroanilino)-1-[4-(3-fluoropropoxy)phenyl]-2-propen-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-(4-chloro-3-nitroanilino)-1-[4-(3-fluoropropoxy)phenyl]-2-propen-1-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(4-chloro-3-nitroanilino)-1-[4-(3-fluoropropoxy)phenyl]-2-propen-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.