![N-[3-[cyano-[(4-methoxyphenyl)methylcarbamoyl]methylidene]isoindol-1-yl]-2-methyl-benzamide structure](/static/products/896/896074-01-4.png)
N-[3-[cyano-[(4-methoxyphenyl)methylcarbamoyl]methylidene]isoindol-1-yl]-2-methyl-benzamide
TL;DR: N-[3-[cyano-[(4-methoxyphenyl)methylcarbamoyl]methylidene]isoindol-1-yl]-2-methyl-benzamide (CAS 896074-01-4) is a chemical compound with molecular formula C27H22N4O3 and molecular weight 450.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3Z)-3-[1-cyano-2-[(4-methoxyphenyl)methylamino]-2-oxoethylidene]isoindol-1-yl]-2-methylbenzamide
Also Known As: N-[3-[cyano-[(4-methoxyphenyl)methylcarbamoyl]methylidene]isoindol-1-yl]-2-methyl-benzamide, (Z)-N-(1-(1-cyano-2-((4-methoxybenzyl)amino)-2-oxoethylidene)-1H-isoindol-3-yl)-2-methylbenzamide, N-[(1Z)-1-{1-cyano-2-[(4-methoxybenzyl)amino]-2-oxoethylidene}-1H-isoindol-3-yl]-2-methylbenzamide, N-[(3Z)-3-[1-cyano-2-[(4-methoxyphenyl)methylamino]-2-oxoethylidene]isoindol-1-yl]-2-methylbenzamide
| Molecular Formula | C27H22N4O3 |
|---|---|
| Molecular Weight | 450.17 g/mol |
| LogP | 3.7449 |
| Topological Polar Surface Area | 103.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 450.1692 |
| Heavy Atoms | 34 |
| Complexity | 1365.1227 |
Chemical Identifiers
| CAS Number | 896074-01-4 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)NC2=N/C(=C(/C#N)\C(=O)NCC3=CC=C(C=C3)OC)/C4=CC=CC=C42 |
Product Overview
N-[3-[cyano-[(4-methoxyphenyl)methylcarbamoyl]methylidene]isoindol-1-yl]-2-methyl-benzamide (CAS 896074-01-4), with molecular formula C27H22N4O3 and molecular weight 450.17 g/mol. IUPAC: N-[(3Z)-3-[1-cyano-2-[(4-methoxyphenyl)methylamino]-2-oxoethylidene]isoindol-1-yl]-2-methylbenzamide.
Chemical Property Profile of N-[3-[cyano-[(4-methoxyphenyl)methylcarbamoyl]methylidene]isoindol-1-yl]-2-methyl-benzamide
Property Insights of N-[3-[cyano-[(4-methoxyphenyl)methylcarbamoyl]methylidene]isoindol-1-yl]-2-methyl-benzamide
The XLogP value of 3.7449 indicates that N-[3-[cyano-[(4-methoxyphenyl)methylcarbamoyl]methylidene]isoindol-1-yl]-2-methyl-benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.58 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[3-[cyano-[(4-methoxyphenyl)methylcarbamoyl]methylidene]isoindol-1-yl]-2-methyl-benzamide. Following Lipinski's Rule of Five, N-[3-[cyano-[(4-methoxyphenyl)methylcarbamoyl]methylidene]isoindol-1-yl]-2-methyl-benzamide has 2 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 N-[3-[cyano-[(4-methoxyphenyl)methylcarbamoyl]methylidene]isoindol-1-yl]-2-methyl-benzamide?
The CAS number of N-[3-[cyano-[(4-methoxyphenyl)methylcarbamoyl]methylidene]isoindol-1-yl]-2-methyl-benzamide is 896074-01-4.
What is the molecular formula of N-[3-[cyano-[(4-methoxyphenyl)methylcarbamoyl]methylidene]isoindol-1-yl]-2-methyl-benzamide?
The molecular formula of N-[3-[cyano-[(4-methoxyphenyl)methylcarbamoyl]methylidene]isoindol-1-yl]-2-methyl-benzamide is C27H22N4O3.
What is the molecular weight of N-[3-[cyano-[(4-methoxyphenyl)methylcarbamoyl]methylidene]isoindol-1-yl]-2-methyl-benzamide?
The molecular weight of N-[3-[cyano-[(4-methoxyphenyl)methylcarbamoyl]methylidene]isoindol-1-yl]-2-methyl-benzamide is 450.17 g/mol.
Where can I buy N-[3-[cyano-[(4-methoxyphenyl)methylcarbamoyl]methylidene]isoindol-1-yl]-2-methyl-benzamide?
You can request a quote for N-[3-[cyano-[(4-methoxyphenyl)methylcarbamoyl]methylidene]isoindol-1-yl]-2-methyl-benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[3-[cyano-[(4-methoxyphenyl)methylcarbamoyl]methylidene]isoindol-1-yl]-2-methyl-benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[3-[cyano-[(4-methoxyphenyl)methylcarbamoyl]methylidene]isoindol-1-yl]-2-methyl-benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.