(Z)-N-(1-(1-cyano-2-morpholino-2-oxoethylidene)-1H-isoindol-3-yl)-2-fluorobenzamide
TL;DR: (Z)-N-(1-(1-cyano-2-morpholino-2-oxoethylidene)-1H-isoindol-3-yl)-2-fluorobenzamide (CAS 896074-33-2) is a chemical compound with molecular formula C22H17FN4O3 and molecular weight 404.13 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]-2-fluorobenzamide
Also Known As: (Z)-N-(1-(1-cyano-2-morpholino-2-oxoethylidene)-1H-isoindol-3-yl)-2-fluorobenzamide, N-[(3Z)-3-(1-cyano-2-morpholin-4-yl-2-oxoethylidene)isoindol-1-yl]-2-fluorobenzamide, N-{(1Z)-1-[1-cyano-2-(morpholin-4-yl)-2-oxoethylidene]-1H-isoindol-3-yl}-2-fluorobenzamide
| Molecular Formula | C22H17FN4O3 |
|---|---|
| Molecular Weight | 404.13 g/mol |
| LogP | 2.10938 |
| Topological Polar Surface Area | 94.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 404.12848 |
| Heavy Atoms | 30 |
| Complexity | 1127.1978 |
Chemical Identifiers
| CAS Number | 896074-33-2 |
|---|---|
| SMILES | C1COCCN1C(=O)/C(=C\2/C3=CC=CC=C3C(=N2)NC(=O)C4=CC=CC=C4F)/C#N |
Product Overview
(Z)-N-(1-(1-cyano-2-morpholino-2-oxoethylidene)-1H-isoindol-3-yl)-2-fluorobenzamide (CAS 896074-33-2), with molecular formula C22H17FN4O3 and molecular weight 404.13 g/mol. IUPAC: N-[(3Z)-3-(1-cyano-2-morpholin-4-yl-2-oxoethylidene)isoindol-1-yl]-2-fluorobenzamide.
Chemical Property Profile of (Z)-N-(1-(1-cyano-2-morpholino-2-oxoethylidene)-1H-isoindol-3-yl)-2-fluorobenzamide
Property Insights of (Z)-N-(1-(1-cyano-2-morpholino-2-oxoethylidene)-1H-isoindol-3-yl)-2-fluorobenzamide
The XLogP value of 2.10938 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-N-(1-(1-cyano-2-morpholino-2-oxoethylidene)-1H-isoindol-3-yl)-2-fluorobenzamide. 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)-2-fluorobenzamide. Following Lipinski's Rule of Five, (Z)-N-(1-(1-cyano-2-morpholino-2-oxoethylidene)-1H-isoindol-3-yl)-2-fluorobenzamide 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)-2-fluorobenzamide?
The CAS number of (Z)-N-(1-(1-cyano-2-morpholino-2-oxoethylidene)-1H-isoindol-3-yl)-2-fluorobenzamide is 896074-33-2.
What is the molecular formula of (Z)-N-(1-(1-cyano-2-morpholino-2-oxoethylidene)-1H-isoindol-3-yl)-2-fluorobenzamide?
The molecular formula of (Z)-N-(1-(1-cyano-2-morpholino-2-oxoethylidene)-1H-isoindol-3-yl)-2-fluorobenzamide is C22H17FN4O3.
What is the molecular weight of (Z)-N-(1-(1-cyano-2-morpholino-2-oxoethylidene)-1H-isoindol-3-yl)-2-fluorobenzamide?
The molecular weight of (Z)-N-(1-(1-cyano-2-morpholino-2-oxoethylidene)-1H-isoindol-3-yl)-2-fluorobenzamide is 404.13 g/mol.
Where can I buy (Z)-N-(1-(1-cyano-2-morpholino-2-oxoethylidene)-1H-isoindol-3-yl)-2-fluorobenzamide?
You can request a quote for (Z)-N-(1-(1-cyano-2-morpholino-2-oxoethylidene)-1H-isoindol-3-yl)-2-fluorobenzamide 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)-2-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for (Z)-N-(1-(1-cyano-2-morpholino-2-oxoethylidene)-1H-isoindol-3-yl)-2-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.