(Z)-N-(1-(1-cyano-2-morpholino-2-oxoethylidene)-1H-isoindol-3-yl)-4-methylbenzamide
TL;DR: (Z)-N-(1-(1-cyano-2-morpholino-2-oxoethylidene)-1H-isoindol-3-yl)-4-methylbenzamide (CAS 899400-12-5) is a chemical compound with molecular formula C23H20N4O3 and molecular weight 400.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3Z)-3-(1-cyano-2-morpholin-4-yl-2-oxoethylidene)isoindol-1-yl]-4-methylbenzamide
Also Known As: (Z)-N-(1-(1-cyano-2-morpholino-2-oxoethylidene)-1H-isoindol-3-yl)-4-methylbenzamide, N-[(3Z)-3-(1-cyano-2-morpholin-4-yl-2-oxoethylidene)isoindol-1-yl]-4-methylbenzamide, N-{(1Z)-1-[1-cyano-2-(morpholin-4-yl)-2-oxoethylidene]-1H-isoindol-3-yl}-4-methylbenzamide
| Molecular Formula | C23H20N4O3 |
|---|---|
| Molecular Weight | 400.15 g/mol |
| LogP | 2.2787 |
| Topological Polar Surface Area | 94.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 400.15353 |
| Heavy Atoms | 30 |
| Complexity | 1104.0133 |
Chemical Identifiers
| CAS Number | 899400-12-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)NC2=N/C(=C(/C#N)\C(=O)N3CCOCC3)/C4=CC=CC=C42 |
Product Overview
(Z)-N-(1-(1-cyano-2-morpholino-2-oxoethylidene)-1H-isoindol-3-yl)-4-methylbenzamide (CAS 899400-12-5), with molecular formula C23H20N4O3 and molecular weight 400.15 g/mol. IUPAC: N-[(3Z)-3-(1-cyano-2-morpholin-4-yl-2-oxoethylidene)isoindol-1-yl]-4-methylbenzamide.
Chemical Property Profile of (Z)-N-(1-(1-cyano-2-morpholino-2-oxoethylidene)-1H-isoindol-3-yl)-4-methylbenzamide
Property Insights of (Z)-N-(1-(1-cyano-2-morpholino-2-oxoethylidene)-1H-isoindol-3-yl)-4-methylbenzamide
The XLogP value of 2.2787 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-N-(1-(1-cyano-2-morpholino-2-oxoethylidene)-1H-isoindol-3-yl)-4-methylbenzamide. The TPSA of 94.79 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-N-(1-(1-cyano-2-morpholino-2-oxoethylidene)-1H-isoindol-3-yl)-4-methylbenzamide. Following Lipinski's Rule of Five, (Z)-N-(1-(1-cyano-2-morpholino-2-oxoethylidene)-1H-isoindol-3-yl)-4-methylbenzamide 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 (Z)-N-(1-(1-cyano-2-morpholino-2-oxoethylidene)-1H-isoindol-3-yl)-4-methylbenzamide?
The CAS number of (Z)-N-(1-(1-cyano-2-morpholino-2-oxoethylidene)-1H-isoindol-3-yl)-4-methylbenzamide is 899400-12-5.
What is the molecular formula of (Z)-N-(1-(1-cyano-2-morpholino-2-oxoethylidene)-1H-isoindol-3-yl)-4-methylbenzamide?
The molecular formula of (Z)-N-(1-(1-cyano-2-morpholino-2-oxoethylidene)-1H-isoindol-3-yl)-4-methylbenzamide is C23H20N4O3.
What is the molecular weight of (Z)-N-(1-(1-cyano-2-morpholino-2-oxoethylidene)-1H-isoindol-3-yl)-4-methylbenzamide?
The molecular weight of (Z)-N-(1-(1-cyano-2-morpholino-2-oxoethylidene)-1H-isoindol-3-yl)-4-methylbenzamide is 400.15 g/mol.
Where can I buy (Z)-N-(1-(1-cyano-2-morpholino-2-oxoethylidene)-1H-isoindol-3-yl)-4-methylbenzamide?
You can request a quote for (Z)-N-(1-(1-cyano-2-morpholino-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-morpholino-2-oxoethylidene)-1H-isoindol-3-yl)-4-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for (Z)-N-(1-(1-cyano-2-morpholino-2-oxoethylidene)-1H-isoindol-3-yl)-4-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.