(Z)-4-chloro-N-(1-(1-cyano-2-morpholino-2-oxoethylidene)-1H-isoindol-3-yl)benzamide
TL;DR: (Z)-4-chloro-N-(1-(1-cyano-2-morpholino-2-oxoethylidene)-1H-isoindol-3-yl)benzamide (CAS 902014-25-9) is a chemical compound with molecular formula C22H17ClN4O3 and molecular weight 420.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[(3Z)-3-(1-cyano-2-morpholin-4-yl-2-oxoethylidene)isoindol-1-yl]benzamide
Also Known As: (Z)-4-chloro-N-(1-(1-cyano-2-morpholino-2-oxoethylidene)-1H-isoindol-3-yl)benzamide, 4-chloro-N-[(3Z)-3-(1-cyano-2-morpholin-4-yl-2-oxoethylidene)isoindol-1-yl]benzamide, 4-chloro-N-[3-(1-cyano-2-morpholin-4-yl-2-oxo-ethylidene)isoindol-1-yl]benzamide, 4-chloro-N-{(1Z)-1-[1-cyano-2-(morpholin-4-yl)-2-oxoethylidene]-1H-isoindol-3-yl}benzamide
| Molecular Formula | C22H17ClN4O3 |
|---|---|
| Molecular Weight | 420.10 g/mol |
| LogP | 2.62368 |
| Topological Polar Surface Area | 94.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 420.0989 |
| Heavy Atoms | 30 |
| Complexity | 1109.9478 |
Chemical Identifiers
| CAS Number | 902014-25-9 |
|---|---|
| SMILES | C1COCCN1C(=O)/C(=C\2/C3=CC=CC=C3C(=N2)NC(=O)C4=CC=C(C=C4)Cl)/C#N |
Product Overview
(Z)-4-chloro-N-(1-(1-cyano-2-morpholino-2-oxoethylidene)-1H-isoindol-3-yl)benzamide (CAS 902014-25-9), with molecular formula C22H17ClN4O3 and molecular weight 420.10 g/mol. IUPAC: 4-chloro-N-[(3Z)-3-(1-cyano-2-morpholin-4-yl-2-oxoethylidene)isoindol-1-yl]benzamide.
Chemical Property Profile of (Z)-4-chloro-N-(1-(1-cyano-2-morpholino-2-oxoethylidene)-1H-isoindol-3-yl)benzamide
Property Insights of (Z)-4-chloro-N-(1-(1-cyano-2-morpholino-2-oxoethylidene)-1H-isoindol-3-yl)benzamide
The XLogP value of 2.62368 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-4-chloro-N-(1-(1-cyano-2-morpholino-2-oxoethylidene)-1H-isoindol-3-yl)benzamide. The TPSA of 94.79 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-4-chloro-N-(1-(1-cyano-2-morpholino-2-oxoethylidene)-1H-isoindol-3-yl)benzamide. Following Lipinski's Rule of Five, (Z)-4-chloro-N-(1-(1-cyano-2-morpholino-2-oxoethylidene)-1H-isoindol-3-yl)benzamide 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)-4-chloro-N-(1-(1-cyano-2-morpholino-2-oxoethylidene)-1H-isoindol-3-yl)benzamide?
The CAS number of (Z)-4-chloro-N-(1-(1-cyano-2-morpholino-2-oxoethylidene)-1H-isoindol-3-yl)benzamide is 902014-25-9.
What is the molecular formula of (Z)-4-chloro-N-(1-(1-cyano-2-morpholino-2-oxoethylidene)-1H-isoindol-3-yl)benzamide?
The molecular formula of (Z)-4-chloro-N-(1-(1-cyano-2-morpholino-2-oxoethylidene)-1H-isoindol-3-yl)benzamide is C22H17ClN4O3.
What is the molecular weight of (Z)-4-chloro-N-(1-(1-cyano-2-morpholino-2-oxoethylidene)-1H-isoindol-3-yl)benzamide?
The molecular weight of (Z)-4-chloro-N-(1-(1-cyano-2-morpholino-2-oxoethylidene)-1H-isoindol-3-yl)benzamide is 420.10 g/mol.
Where can I buy (Z)-4-chloro-N-(1-(1-cyano-2-morpholino-2-oxoethylidene)-1H-isoindol-3-yl)benzamide?
You can request a quote for (Z)-4-chloro-N-(1-(1-cyano-2-morpholino-2-oxoethylidene)-1H-isoindol-3-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-4-chloro-N-(1-(1-cyano-2-morpholino-2-oxoethylidene)-1H-isoindol-3-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for (Z)-4-chloro-N-(1-(1-cyano-2-morpholino-2-oxoethylidene)-1H-isoindol-3-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.