(Z)-N-(1-(1-cyano-2-((2,5-dimethylphenyl)amino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-methylbenzamide
TL;DR: (Z)-N-(1-(1-cyano-2-((2,5-dimethylphenyl)amino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-methylbenzamide (CAS 900282-48-6) is a chemical compound with molecular formula C27H22N4O2 and molecular weight 434.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3Z)-3-[1-cyano-2-(2,5-dimethylanilino)-2-oxoethylidene]isoindol-1-yl]-4-methylbenzamide
Also Known As: (Z)-N-(1-(1-cyano-2-((2,5-dimethylphenyl)amino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-methylbenzamide, N-[3-[cyano-[(2,5-dimethylphenyl)carbamoyl]methylidene]isoindol-1-yl]-4-methyl-benzamide, N-[(1Z)-1-{1-cyano-2-[(2,5-dimethylphenyl)amino]-2-oxoethylidene}-1H-isoindol-3-yl]-4-methylbenzamide, N-[(3Z)-3-[1-cyano-2-(2,5-dimethylanilino)-2-oxoethylidene]isoindol-1-yl]-4-methylbenzamide
| Molecular Formula | C27H22N4O2 |
|---|---|
| Molecular Weight | 434.17 g/mol |
| LogP | 4.67544 |
| Topological Polar Surface Area | 94.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 434.1743 |
| Heavy Atoms | 33 |
| Complexity | 1375.9755 |
Chemical Identifiers
| CAS Number | 900282-48-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)NC2=N/C(=C(/C#N)\C(=O)NC3=C(C=CC(=C3)C)C)/C4=CC=CC=C42 |
Product Overview
(Z)-N-(1-(1-cyano-2-((2,5-dimethylphenyl)amino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-methylbenzamide (CAS 900282-48-6), with molecular formula C27H22N4O2 and molecular weight 434.17 g/mol. IUPAC: N-[(3Z)-3-[1-cyano-2-(2,5-dimethylanilino)-2-oxoethylidene]isoindol-1-yl]-4-methylbenzamide.
Chemical Property Profile of (Z)-N-(1-(1-cyano-2-((2,5-dimethylphenyl)amino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-methylbenzamide
Property Insights of (Z)-N-(1-(1-cyano-2-((2,5-dimethylphenyl)amino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-methylbenzamide
The XLogP value of 4.67544 indicates that (Z)-N-(1-(1-cyano-2-((2,5-dimethylphenyl)amino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-methylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.35 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-N-(1-(1-cyano-2-((2,5-dimethylphenyl)amino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-methylbenzamide. Following Lipinski's Rule of Five, (Z)-N-(1-(1-cyano-2-((2,5-dimethylphenyl)amino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-methylbenzamide has 2 hydrogen bond donor(s) and 4 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 (Z)-N-(1-(1-cyano-2-((2,5-dimethylphenyl)amino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-methylbenzamide?
The CAS number of (Z)-N-(1-(1-cyano-2-((2,5-dimethylphenyl)amino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-methylbenzamide is 900282-48-6.
What is the molecular formula of (Z)-N-(1-(1-cyano-2-((2,5-dimethylphenyl)amino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-methylbenzamide?
The molecular formula of (Z)-N-(1-(1-cyano-2-((2,5-dimethylphenyl)amino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-methylbenzamide is C27H22N4O2.
What is the molecular weight of (Z)-N-(1-(1-cyano-2-((2,5-dimethylphenyl)amino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-methylbenzamide?
The molecular weight of (Z)-N-(1-(1-cyano-2-((2,5-dimethylphenyl)amino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-methylbenzamide is 434.17 g/mol.
Where can I buy (Z)-N-(1-(1-cyano-2-((2,5-dimethylphenyl)amino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-methylbenzamide?
You can request a quote for (Z)-N-(1-(1-cyano-2-((2,5-dimethylphenyl)amino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-methylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-N-(1-(1-cyano-2-((2,5-dimethylphenyl)amino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for (Z)-N-(1-(1-cyano-2-((2,5-dimethylphenyl)amino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.