![4-chloro-N-[(E)-3-(3-methylanilino)-1-(5-nitrofuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide structure](/static/products/1164/1164458-46-1.webp)
4-chloro-N-[(E)-3-(3-methylanilino)-1-(5-nitrofuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide
TL;DR: 4-chloro-N-[(E)-3-(3-methylanilino)-1-(5-nitrofuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide (CAS 1164458-46-1) is a chemical compound with molecular formula C21H16ClN3O5 and molecular weight 425.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[(E)-3-(3-methylanilino)-1-(5-nitrofuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide
Also Known As: 4-chloro-N-[(E)-3-(3-methylanilino)-1-(5-nitrofuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide, 4-chloro-N-[1-{[(3-methylphenyl)amino]carbonyl}-2-(5-nitro-2-furyl)vinyl]benzamide, 4-chloro-N-[(E)-1-(m-tolylcarbamoyl)-2-(5-nitro-2-furyl)vinyl]benzamide, (E)-4-chloro-N-(1-(5-nitrofuran-2-yl)-3-oxo-3-(m-tolylamino)prop-1-en-2-yl)benzamide, 4-chloro-N-[(E)-3-(3-methylanilino)-1-(5-nitro-2-furanyl)-3-oxoprop-1-en-2-yl]benzamide
| Molecular Formula | C21H16ClN3O5 |
|---|---|
| Molecular Weight | 425.08 g/mol |
| LogP | 4.55922 |
| Topological Polar Surface Area | 114.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 425.07785 |
| Heavy Atoms | 30 |
| Complexity | 1135.5535 |
Chemical Identifiers
| CAS Number | 1164458-46-1 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)/C(=C\C2=CC=C(O2)[N+](=O)[O-])/NC(=O)C3=CC=C(C=C3)Cl |
Product Overview
4-chloro-N-[(E)-3-(3-methylanilino)-1-(5-nitrofuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide (CAS 1164458-46-1), with molecular formula C21H16ClN3O5 and molecular weight 425.08 g/mol. IUPAC: 4-chloro-N-[(E)-3-(3-methylanilino)-1-(5-nitrofuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide.
Chemical Property Profile of 4-chloro-N-[(E)-3-(3-methylanilino)-1-(5-nitrofuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide
Property Insights of 4-chloro-N-[(E)-3-(3-methylanilino)-1-(5-nitrofuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide
The XLogP value of 4.55922 indicates that 4-chloro-N-[(E)-3-(3-methylanilino)-1-(5-nitrofuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-chloro-N-[(E)-3-(3-methylanilino)-1-(5-nitrofuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide. Following Lipinski's Rule of Five, 4-chloro-N-[(E)-3-(3-methylanilino)-1-(5-nitrofuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide has 2 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 4-chloro-N-[(E)-3-(3-methylanilino)-1-(5-nitrofuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide?
The CAS number of 4-chloro-N-[(E)-3-(3-methylanilino)-1-(5-nitrofuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide is 1164458-46-1.
What is the molecular formula of 4-chloro-N-[(E)-3-(3-methylanilino)-1-(5-nitrofuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide?
The molecular formula of 4-chloro-N-[(E)-3-(3-methylanilino)-1-(5-nitrofuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide is C21H16ClN3O5.
What is the molecular weight of 4-chloro-N-[(E)-3-(3-methylanilino)-1-(5-nitrofuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide?
The molecular weight of 4-chloro-N-[(E)-3-(3-methylanilino)-1-(5-nitrofuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide is 425.08 g/mol.
Where can I buy 4-chloro-N-[(E)-3-(3-methylanilino)-1-(5-nitrofuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide?
You can request a quote for 4-chloro-N-[(E)-3-(3-methylanilino)-1-(5-nitrofuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-N-[(E)-3-(3-methylanilino)-1-(5-nitrofuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-N-[(E)-3-(3-methylanilino)-1-(5-nitrofuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.