![N-[(3Z)-3-[1-cyano-2-(4-fluoroanilino)-2-oxoethylidene]isoindol-1-yl]-4-nitrobenzamide structure](/static/products/892/892612-08-7.png)
N-[(3Z)-3-[1-cyano-2-(4-fluoroanilino)-2-oxoethylidene]isoindol-1-yl]-4-nitrobenzamide
TL;DR: N-[(3Z)-3-[1-cyano-2-(4-fluoroanilino)-2-oxoethylidene]isoindol-1-yl]-4-nitrobenzamide (CAS 892612-08-7) is a chemical compound with molecular formula C24H14FN5O4 and molecular weight 455.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3Z)-3-[1-cyano-2-(4-fluoroanilino)-2-oxoethylidene]isoindol-1-yl]-4-nitrobenzamide
Also Known As: N-[(3Z)-3-[1-cyano-2-(4-fluoroanilino)-2-oxoethylidene]isoindol-1-yl]-4-nitrobenzamide, N-[3-[cyano-[(4-fluorophenyl)carbamoyl]methylidene]isoindol-1-yl]-4-nitro-benzamide, (Z)-N-(1-(1-cyano-2-((4-fluorophenyl)amino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-nitrobenzamide, N-[(1Z)-1-{1-cyano-2-[(4-fluorophenyl)amino]-2-oxoethylidene}-1H-isoindol-3-yl]-4-nitrobenzamide
| Molecular Formula | C24H14FN5O4 |
|---|---|
| Molecular Weight | 455.10 g/mol |
| LogP | 3.79748 |
| Topological Polar Surface Area | 137.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 455.103 |
| Heavy Atoms | 34 |
| Complexity | 1420.9674 |
Chemical Identifiers
| CAS Number | 892612-08-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)/C(=C(\C#N)/C(=O)NC3=CC=C(C=C3)F)/N=C2NC(=O)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
N-[(3Z)-3-[1-cyano-2-(4-fluoroanilino)-2-oxoethylidene]isoindol-1-yl]-4-nitrobenzamide (CAS 892612-08-7), with molecular formula C24H14FN5O4 and molecular weight 455.10 g/mol. IUPAC: N-[(3Z)-3-[1-cyano-2-(4-fluoroanilino)-2-oxoethylidene]isoindol-1-yl]-4-nitrobenzamide.
Chemical Property Profile of N-[(3Z)-3-[1-cyano-2-(4-fluoroanilino)-2-oxoethylidene]isoindol-1-yl]-4-nitrobenzamide
Property Insights of N-[(3Z)-3-[1-cyano-2-(4-fluoroanilino)-2-oxoethylidene]isoindol-1-yl]-4-nitrobenzamide
The XLogP value of 3.79748 indicates that N-[(3Z)-3-[1-cyano-2-(4-fluoroanilino)-2-oxoethylidene]isoindol-1-yl]-4-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.49 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(3Z)-3-[1-cyano-2-(4-fluoroanilino)-2-oxoethylidene]isoindol-1-yl]-4-nitrobenzamide. Following Lipinski's Rule of Five, N-[(3Z)-3-[1-cyano-2-(4-fluoroanilino)-2-oxoethylidene]isoindol-1-yl]-4-nitrobenzamide has 2 hydrogen bond donor(s) and 6 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 N-[(3Z)-3-[1-cyano-2-(4-fluoroanilino)-2-oxoethylidene]isoindol-1-yl]-4-nitrobenzamide?
The CAS number of N-[(3Z)-3-[1-cyano-2-(4-fluoroanilino)-2-oxoethylidene]isoindol-1-yl]-4-nitrobenzamide is 892612-08-7.
What is the molecular formula of N-[(3Z)-3-[1-cyano-2-(4-fluoroanilino)-2-oxoethylidene]isoindol-1-yl]-4-nitrobenzamide?
The molecular formula of N-[(3Z)-3-[1-cyano-2-(4-fluoroanilino)-2-oxoethylidene]isoindol-1-yl]-4-nitrobenzamide is C24H14FN5O4.
What is the molecular weight of N-[(3Z)-3-[1-cyano-2-(4-fluoroanilino)-2-oxoethylidene]isoindol-1-yl]-4-nitrobenzamide?
The molecular weight of N-[(3Z)-3-[1-cyano-2-(4-fluoroanilino)-2-oxoethylidene]isoindol-1-yl]-4-nitrobenzamide is 455.10 g/mol.
Where can I buy N-[(3Z)-3-[1-cyano-2-(4-fluoroanilino)-2-oxoethylidene]isoindol-1-yl]-4-nitrobenzamide?
You can request a quote for N-[(3Z)-3-[1-cyano-2-(4-fluoroanilino)-2-oxoethylidene]isoindol-1-yl]-4-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(3Z)-3-[1-cyano-2-(4-fluoroanilino)-2-oxoethylidene]isoindol-1-yl]-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(3Z)-3-[1-cyano-2-(4-fluoroanilino)-2-oxoethylidene]isoindol-1-yl]-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.