(Z)-N-(1-(1-cyano-2-((4-methoxyphenethyl)amino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-nitrobenzamide
TL;DR: (Z)-N-(1-(1-cyano-2-((4-methoxyphenethyl)amino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-nitrobenzamide (CAS 885185-64-8) is a chemical compound with molecular formula C27H21N5O5 and molecular weight 495.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3Z)-3-[1-cyano-2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethylidene]isoindol-1-yl]-4-nitrobenzamide
Also Known As: (Z)-N-(1-(1-cyano-2-((4-methoxyphenethyl)amino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-nitrobenzamide, N-[(1Z)-1-(1-cyano-2-{[2-(4-methoxyphenyl)ethyl]amino}-2-oxoethylidene)-1H-isoindol-3-yl]-4-nitrobenzamide, N-[(3Z)-3-[1-cyano-2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethylidene]isoindol-1-yl]-4-nitrobenzamide
| Molecular Formula | C27H21N5O5 |
|---|---|
| Molecular Weight | 495.15 g/mol |
| LogP | 3.38718 |
| Topological Polar Surface Area | 146.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 495.15427 |
| Heavy Atoms | 37 |
| Complexity | 1468.2716 |
Chemical Identifiers
| CAS Number | 885185-64-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CCNC(=O)/C(=C\2/C3=CC=CC=C3C(=N2)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])/C#N |
Product Overview
(Z)-N-(1-(1-cyano-2-((4-methoxyphenethyl)amino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-nitrobenzamide (CAS 885185-64-8), with molecular formula C27H21N5O5 and molecular weight 495.15 g/mol. IUPAC: N-[(3Z)-3-[1-cyano-2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethylidene]isoindol-1-yl]-4-nitrobenzamide.
Chemical Property Profile of (Z)-N-(1-(1-cyano-2-((4-methoxyphenethyl)amino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-nitrobenzamide
Property Insights of (Z)-N-(1-(1-cyano-2-((4-methoxyphenethyl)amino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-nitrobenzamide
The XLogP value of 3.38718 indicates that (Z)-N-(1-(1-cyano-2-((4-methoxyphenethyl)amino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 146.72 Ų indicates high polarity, suggesting (Z)-N-(1-(1-cyano-2-((4-methoxyphenethyl)amino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-nitrobenzamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (Z)-N-(1-(1-cyano-2-((4-methoxyphenethyl)amino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-nitrobenzamide has 2 hydrogen bond donor(s) and 7 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-((4-methoxyphenethyl)amino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-nitrobenzamide?
The CAS number of (Z)-N-(1-(1-cyano-2-((4-methoxyphenethyl)amino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-nitrobenzamide is 885185-64-8.
What is the molecular formula of (Z)-N-(1-(1-cyano-2-((4-methoxyphenethyl)amino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-nitrobenzamide?
The molecular formula of (Z)-N-(1-(1-cyano-2-((4-methoxyphenethyl)amino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-nitrobenzamide is C27H21N5O5.
What is the molecular weight of (Z)-N-(1-(1-cyano-2-((4-methoxyphenethyl)amino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-nitrobenzamide?
The molecular weight of (Z)-N-(1-(1-cyano-2-((4-methoxyphenethyl)amino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-nitrobenzamide is 495.15 g/mol.
Where can I buy (Z)-N-(1-(1-cyano-2-((4-methoxyphenethyl)amino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-nitrobenzamide?
You can request a quote for (Z)-N-(1-(1-cyano-2-((4-methoxyphenethyl)amino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-nitrobenzamide 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-((4-methoxyphenethyl)amino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for (Z)-N-(1-(1-cyano-2-((4-methoxyphenethyl)amino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.