4-cyano-N-(1,3-dioxoisoindol-4-yl)benzamide
TL;DR: 4-cyano-N-(1,3-dioxoisoindol-4-yl)benzamide (CAS 780805-97-2) is a chemical compound with molecular formula C16H9N3O3 and molecular weight 291.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-cyano-N-(1,3-dioxoisoindol-4-yl)benzamide
Also Known As: 4-cyano-N-(1,3-dioxoisoindol-4-yl)benzamide, 4-cyano-N-(1,3-dioxoisoindolin-4-yl)benzamide, N-(1,3-dioxo-4-isoindolinyl)p-cyanobenzamide, AB00675562-01, F1620-0036
| Molecular Formula | C16H9N3O3 |
|---|---|
| Molecular Weight | 291.06 g/mol |
| LogP | 1.69418 |
| Topological Polar Surface Area | 99.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 291.0644 |
| Heavy Atoms | 22 |
| Complexity | 847.93 |
Chemical Identifiers
| CAS Number | 780805-97-2 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)NC(=O)C3=CC=C(C=C3)C#N)C(=O)NC2=O |
Product Overview
4-cyano-N-(1,3-dioxoisoindol-4-yl)benzamide (CAS 780805-97-2), with molecular formula C16H9N3O3 and molecular weight 291.06 g/mol. IUPAC: 4-cyano-N-(1,3-dioxoisoindol-4-yl)benzamide.
Chemical Property Profile of 4-cyano-N-(1,3-dioxoisoindol-4-yl)benzamide
Property Insights of 4-cyano-N-(1,3-dioxoisoindol-4-yl)benzamide
The XLogP value of 1.69418 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-cyano-N-(1,3-dioxoisoindol-4-yl)benzamide. The TPSA of 99.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-cyano-N-(1,3-dioxoisoindol-4-yl)benzamide. Following Lipinski's Rule of Five, 4-cyano-N-(1,3-dioxoisoindol-4-yl)benzamide 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 4-cyano-N-(1,3-dioxoisoindol-4-yl)benzamide?
The CAS number of 4-cyano-N-(1,3-dioxoisoindol-4-yl)benzamide is 780805-97-2.
What is the molecular formula of 4-cyano-N-(1,3-dioxoisoindol-4-yl)benzamide?
The molecular formula of 4-cyano-N-(1,3-dioxoisoindol-4-yl)benzamide is C16H9N3O3.
What is the molecular weight of 4-cyano-N-(1,3-dioxoisoindol-4-yl)benzamide?
The molecular weight of 4-cyano-N-(1,3-dioxoisoindol-4-yl)benzamide is 291.06 g/mol.
Where can I buy 4-cyano-N-(1,3-dioxoisoindol-4-yl)benzamide?
You can request a quote for 4-cyano-N-(1,3-dioxoisoindol-4-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-cyano-N-(1,3-dioxoisoindol-4-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-cyano-N-(1,3-dioxoisoindol-4-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.