(Z)-N-(1-(1-cyano-2-(2,6-dimethylmorpholino)-2-oxoethylidene)-1H-isoindol-3-yl)thiophene-2-carboxamide
TL;DR: (Z)-N-(1-(1-cyano-2-(2,6-dimethylmorpholino)-2-oxoethylidene)-1H-isoindol-3-yl)thiophene-2-carboxamide (CAS 899402-82-5) is a chemical compound with molecular formula C22H20N4O3S and molecular weight 420.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3Z)-3-[1-cyano-2-(2,6-dimethylmorpholin-4-yl)-2-oxoethylidene]isoindol-1-yl]thiophene-2-carboxamide
Also Known As: (Z)-N-(1-(1-cyano-2-(2,6-dimethylmorpholino)-2-oxoethylidene)-1H-isoindol-3-yl)thiophene-2-carboxamide, N-[(3Z)-3-[1-cyano-2-(2,6-dimethylmorpholin-4-yl)-2-oxoethylidene]isoindol-1-yl]thiophene-2-carboxamide, N-{(1Z)-1-[1-cyano-2-(2,6-dimethylmorpholin-4-yl)-2-oxoethylidene]-1H-isoindol-3-yl}thiophene-2-carboxamide
| Molecular Formula | C22H20N4O3S |
|---|---|
| Molecular Weight | 420.13 g/mol |
| LogP | 2.80878 |
| Topological Polar Surface Area | 94.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 420.1256 |
| Heavy Atoms | 30 |
| Complexity | 1087.8359 |
Chemical Identifiers
| CAS Number | 899402-82-5 |
|---|---|
| SMILES | CC1CN(CC(O1)C)C(=O)/C(=C\2/C3=CC=CC=C3C(=N2)NC(=O)C4=CC=CS4)/C#N |
Product Overview
(Z)-N-(1-(1-cyano-2-(2,6-dimethylmorpholino)-2-oxoethylidene)-1H-isoindol-3-yl)thiophene-2-carboxamide (CAS 899402-82-5), with molecular formula C22H20N4O3S and molecular weight 420.13 g/mol. IUPAC: N-[(3Z)-3-[1-cyano-2-(2,6-dimethylmorpholin-4-yl)-2-oxoethylidene]isoindol-1-yl]thiophene-2-carboxamide.
Chemical Property Profile of (Z)-N-(1-(1-cyano-2-(2,6-dimethylmorpholino)-2-oxoethylidene)-1H-isoindol-3-yl)thiophene-2-carboxamide
Property Insights of (Z)-N-(1-(1-cyano-2-(2,6-dimethylmorpholino)-2-oxoethylidene)-1H-isoindol-3-yl)thiophene-2-carboxamide
The XLogP value of 2.80878 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-N-(1-(1-cyano-2-(2,6-dimethylmorpholino)-2-oxoethylidene)-1H-isoindol-3-yl)thiophene-2-carboxamide. The TPSA of 94.79 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-N-(1-(1-cyano-2-(2,6-dimethylmorpholino)-2-oxoethylidene)-1H-isoindol-3-yl)thiophene-2-carboxamide. Following Lipinski's Rule of Five, (Z)-N-(1-(1-cyano-2-(2,6-dimethylmorpholino)-2-oxoethylidene)-1H-isoindol-3-yl)thiophene-2-carboxamide has 1 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 (Z)-N-(1-(1-cyano-2-(2,6-dimethylmorpholino)-2-oxoethylidene)-1H-isoindol-3-yl)thiophene-2-carboxamide?
The CAS number of (Z)-N-(1-(1-cyano-2-(2,6-dimethylmorpholino)-2-oxoethylidene)-1H-isoindol-3-yl)thiophene-2-carboxamide is 899402-82-5.
What is the molecular formula of (Z)-N-(1-(1-cyano-2-(2,6-dimethylmorpholino)-2-oxoethylidene)-1H-isoindol-3-yl)thiophene-2-carboxamide?
The molecular formula of (Z)-N-(1-(1-cyano-2-(2,6-dimethylmorpholino)-2-oxoethylidene)-1H-isoindol-3-yl)thiophene-2-carboxamide is C22H20N4O3S.
What is the molecular weight of (Z)-N-(1-(1-cyano-2-(2,6-dimethylmorpholino)-2-oxoethylidene)-1H-isoindol-3-yl)thiophene-2-carboxamide?
The molecular weight of (Z)-N-(1-(1-cyano-2-(2,6-dimethylmorpholino)-2-oxoethylidene)-1H-isoindol-3-yl)thiophene-2-carboxamide is 420.13 g/mol.
Where can I buy (Z)-N-(1-(1-cyano-2-(2,6-dimethylmorpholino)-2-oxoethylidene)-1H-isoindol-3-yl)thiophene-2-carboxamide?
You can request a quote for (Z)-N-(1-(1-cyano-2-(2,6-dimethylmorpholino)-2-oxoethylidene)-1H-isoindol-3-yl)thiophene-2-carboxamide 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-(2,6-dimethylmorpholino)-2-oxoethylidene)-1H-isoindol-3-yl)thiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for (Z)-N-(1-(1-cyano-2-(2,6-dimethylmorpholino)-2-oxoethylidene)-1H-isoindol-3-yl)thiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.