(Z)-N-(1-(2-(butylamino)-1-cyano-2-oxoethylidene)-1H-isoindol-3-yl)-3-chlorobenzamide
TL;DR: (Z)-N-(1-(2-(butylamino)-1-cyano-2-oxoethylidene)-1H-isoindol-3-yl)-3-chlorobenzamide (CAS 900266-06-0) is a chemical compound with molecular formula C22H19ClN4O2 and molecular weight 406.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3Z)-3-[2-(butylamino)-1-cyano-2-oxoethylidene]isoindol-1-yl]-3-chlorobenzamide
Also Known As: (Z)-N-(1-(2-(butylamino)-1-cyano-2-oxoethylidene)-1H-isoindol-3-yl)-3-chlorobenzamide, N-[(3Z)-3-[2-(butylamino)-1-cyano-2-oxoethylidene]isoindol-1-yl]-3-chlorobenzamide, N-{(1Z)-1-[2-(butylamino)-1-cyano-2-oxoethylidene]-1H-isoindol-3-yl}-3-chlorobenzamide
| Molecular Formula | C22H19ClN4O2 |
|---|---|
| Molecular Weight | 406.12 g/mol |
| LogP | 3.68118 |
| Topological Polar Surface Area | 94.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 406.11966 |
| Heavy Atoms | 29 |
| Complexity | 1066.477 |
Chemical Identifiers
| CAS Number | 900266-06-0 |
|---|---|
| SMILES | CCCCNC(=O)/C(=C\1/C2=CC=CC=C2C(=N1)NC(=O)C3=CC(=CC=C3)Cl)/C#N |
Product Overview
(Z)-N-(1-(2-(butylamino)-1-cyano-2-oxoethylidene)-1H-isoindol-3-yl)-3-chlorobenzamide (CAS 900266-06-0), with molecular formula C22H19ClN4O2 and molecular weight 406.12 g/mol. IUPAC: N-[(3Z)-3-[2-(butylamino)-1-cyano-2-oxoethylidene]isoindol-1-yl]-3-chlorobenzamide.
Chemical Property Profile of (Z)-N-(1-(2-(butylamino)-1-cyano-2-oxoethylidene)-1H-isoindol-3-yl)-3-chlorobenzamide
Property Insights of (Z)-N-(1-(2-(butylamino)-1-cyano-2-oxoethylidene)-1H-isoindol-3-yl)-3-chlorobenzamide
The XLogP value of 3.68118 indicates that (Z)-N-(1-(2-(butylamino)-1-cyano-2-oxoethylidene)-1H-isoindol-3-yl)-3-chlorobenzamide 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-(2-(butylamino)-1-cyano-2-oxoethylidene)-1H-isoindol-3-yl)-3-chlorobenzamide. Following Lipinski's Rule of Five, (Z)-N-(1-(2-(butylamino)-1-cyano-2-oxoethylidene)-1H-isoindol-3-yl)-3-chlorobenzamide 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-(2-(butylamino)-1-cyano-2-oxoethylidene)-1H-isoindol-3-yl)-3-chlorobenzamide?
The CAS number of (Z)-N-(1-(2-(butylamino)-1-cyano-2-oxoethylidene)-1H-isoindol-3-yl)-3-chlorobenzamide is 900266-06-0.
What is the molecular formula of (Z)-N-(1-(2-(butylamino)-1-cyano-2-oxoethylidene)-1H-isoindol-3-yl)-3-chlorobenzamide?
The molecular formula of (Z)-N-(1-(2-(butylamino)-1-cyano-2-oxoethylidene)-1H-isoindol-3-yl)-3-chlorobenzamide is C22H19ClN4O2.
What is the molecular weight of (Z)-N-(1-(2-(butylamino)-1-cyano-2-oxoethylidene)-1H-isoindol-3-yl)-3-chlorobenzamide?
The molecular weight of (Z)-N-(1-(2-(butylamino)-1-cyano-2-oxoethylidene)-1H-isoindol-3-yl)-3-chlorobenzamide is 406.12 g/mol.
Where can I buy (Z)-N-(1-(2-(butylamino)-1-cyano-2-oxoethylidene)-1H-isoindol-3-yl)-3-chlorobenzamide?
You can request a quote for (Z)-N-(1-(2-(butylamino)-1-cyano-2-oxoethylidene)-1H-isoindol-3-yl)-3-chlorobenzamide 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-(2-(butylamino)-1-cyano-2-oxoethylidene)-1H-isoindol-3-yl)-3-chlorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for (Z)-N-(1-(2-(butylamino)-1-cyano-2-oxoethylidene)-1H-isoindol-3-yl)-3-chlorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.