(Z)-N-(1-(1-cyano-2-((furan-2-ylmethyl)amino)-2-oxoethylidene)-1H-isoindol-3-yl)-3,4,5-trimethoxybenzamide
TL;DR: (Z)-N-(1-(1-cyano-2-((furan-2-ylmethyl)amino)-2-oxoethylidene)-1H-isoindol-3-yl)-3,4,5-trimethoxybenzamide (CAS 885181-03-3) is a chemical compound with molecular formula C26H22N4O6 and molecular weight 486.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3Z)-3-[1-cyano-2-(furan-2-ylmethylamino)-2-oxoethylidene]isoindol-1-yl]-3,4,5-trimethoxybenzamide
Also Known As: (Z)-N-(1-(1-cyano-2-((furan-2-ylmethyl)amino)-2-oxoethylidene)-1H-isoindol-3-yl)-3,4,5-trimethoxybenzamide, N-[(1Z)-1-{1-cyano-2-[(furan-2-ylmethyl)amino]-2-oxoethylidene}-1H-isoindol-3-yl]-3,4,5-trimethoxybenzamide, N-[(3Z)-3-[1-cyano-2-(furan-2-ylmethylamino)-2-oxoethylidene]isoindol-1-yl]-3,4,5-trimethoxybenzamide
| Molecular Formula | C26H22N4O6 |
|---|---|
| Molecular Weight | 486.15 g/mol |
| LogP | 3.04668 |
| Topological Polar Surface Area | 135.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 486.15393 |
| Heavy Atoms | 36 |
| Complexity | 1391.4313 |
Chemical Identifiers
| CAS Number | 885181-03-3 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)NC2=N/C(=C(/C#N)\C(=O)NCC3=CC=CO3)/C4=CC=CC=C42 |
Product Overview
(Z)-N-(1-(1-cyano-2-((furan-2-ylmethyl)amino)-2-oxoethylidene)-1H-isoindol-3-yl)-3,4,5-trimethoxybenzamide (CAS 885181-03-3), with molecular formula C26H22N4O6 and molecular weight 486.15 g/mol. IUPAC: N-[(3Z)-3-[1-cyano-2-(furan-2-ylmethylamino)-2-oxoethylidene]isoindol-1-yl]-3,4,5-trimethoxybenzamide.
Chemical Property Profile of (Z)-N-(1-(1-cyano-2-((furan-2-ylmethyl)amino)-2-oxoethylidene)-1H-isoindol-3-yl)-3,4,5-trimethoxybenzamide
Property Insights of (Z)-N-(1-(1-cyano-2-((furan-2-ylmethyl)amino)-2-oxoethylidene)-1H-isoindol-3-yl)-3,4,5-trimethoxybenzamide
The XLogP value of 3.04668 indicates that (Z)-N-(1-(1-cyano-2-((furan-2-ylmethyl)amino)-2-oxoethylidene)-1H-isoindol-3-yl)-3,4,5-trimethoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.18 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-N-(1-(1-cyano-2-((furan-2-ylmethyl)amino)-2-oxoethylidene)-1H-isoindol-3-yl)-3,4,5-trimethoxybenzamide. Following Lipinski's Rule of Five, (Z)-N-(1-(1-cyano-2-((furan-2-ylmethyl)amino)-2-oxoethylidene)-1H-isoindol-3-yl)-3,4,5-trimethoxybenzamide has 2 hydrogen bond donor(s) and 8 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-((furan-2-ylmethyl)amino)-2-oxoethylidene)-1H-isoindol-3-yl)-3,4,5-trimethoxybenzamide?
The CAS number of (Z)-N-(1-(1-cyano-2-((furan-2-ylmethyl)amino)-2-oxoethylidene)-1H-isoindol-3-yl)-3,4,5-trimethoxybenzamide is 885181-03-3.
What is the molecular formula of (Z)-N-(1-(1-cyano-2-((furan-2-ylmethyl)amino)-2-oxoethylidene)-1H-isoindol-3-yl)-3,4,5-trimethoxybenzamide?
The molecular formula of (Z)-N-(1-(1-cyano-2-((furan-2-ylmethyl)amino)-2-oxoethylidene)-1H-isoindol-3-yl)-3,4,5-trimethoxybenzamide is C26H22N4O6.
What is the molecular weight of (Z)-N-(1-(1-cyano-2-((furan-2-ylmethyl)amino)-2-oxoethylidene)-1H-isoindol-3-yl)-3,4,5-trimethoxybenzamide?
The molecular weight of (Z)-N-(1-(1-cyano-2-((furan-2-ylmethyl)amino)-2-oxoethylidene)-1H-isoindol-3-yl)-3,4,5-trimethoxybenzamide is 486.15 g/mol.
Where can I buy (Z)-N-(1-(1-cyano-2-((furan-2-ylmethyl)amino)-2-oxoethylidene)-1H-isoindol-3-yl)-3,4,5-trimethoxybenzamide?
You can request a quote for (Z)-N-(1-(1-cyano-2-((furan-2-ylmethyl)amino)-2-oxoethylidene)-1H-isoindol-3-yl)-3,4,5-trimethoxybenzamide 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-((furan-2-ylmethyl)amino)-2-oxoethylidene)-1H-isoindol-3-yl)-3,4,5-trimethoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for (Z)-N-(1-(1-cyano-2-((furan-2-ylmethyl)amino)-2-oxoethylidene)-1H-isoindol-3-yl)-3,4,5-trimethoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.