N-(3-Cyanophenyl)-3-(1,3-dioxoisoindolin-2-yl)propanamide
TL;DR: N-(3-Cyanophenyl)-3-(1,3-dioxoisoindolin-2-yl)propanamide (CAS 794574-17-7) is a chemical compound with molecular formula C18H13N3O3 and molecular weight 319.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyanophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
Also Known As: N-(3-Cyanophenyl)-3-(1,3-dioxoisoindolin-2-yl)propanamide, N-(3-cyanophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
| Molecular Formula | C18H13N3O3 |
|---|---|
| Molecular Weight | 319.10 g/mol |
| LogP | 2.18308 |
| Topological Polar Surface Area | 90.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.0957 |
| Heavy Atoms | 24 |
| Complexity | 848.0729 |
Chemical Identifiers
| CAS Number | 794574-17-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)NC3=CC=CC(=C3)C#N |
Product Overview
N-(3-Cyanophenyl)-3-(1,3-dioxoisoindolin-2-yl)propanamide (CAS 794574-17-7), with molecular formula C18H13N3O3 and molecular weight 319.10 g/mol. IUPAC: N-(3-cyanophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide.
Chemical Property Profile of N-(3-Cyanophenyl)-3-(1,3-dioxoisoindolin-2-yl)propanamide
Property Insights of N-(3-Cyanophenyl)-3-(1,3-dioxoisoindolin-2-yl)propanamide
The XLogP value of 2.18308 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-Cyanophenyl)-3-(1,3-dioxoisoindolin-2-yl)propanamide. The TPSA of 90.27 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-Cyanophenyl)-3-(1,3-dioxoisoindolin-2-yl)propanamide. Following Lipinski's Rule of Five, N-(3-Cyanophenyl)-3-(1,3-dioxoisoindolin-2-yl)propanamide has 1 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 N-(3-Cyanophenyl)-3-(1,3-dioxoisoindolin-2-yl)propanamide?
The CAS number of N-(3-Cyanophenyl)-3-(1,3-dioxoisoindolin-2-yl)propanamide is 794574-17-7.
What is the molecular formula of N-(3-Cyanophenyl)-3-(1,3-dioxoisoindolin-2-yl)propanamide?
The molecular formula of N-(3-Cyanophenyl)-3-(1,3-dioxoisoindolin-2-yl)propanamide is C18H13N3O3.
What is the molecular weight of N-(3-Cyanophenyl)-3-(1,3-dioxoisoindolin-2-yl)propanamide?
The molecular weight of N-(3-Cyanophenyl)-3-(1,3-dioxoisoindolin-2-yl)propanamide is 319.10 g/mol.
Where can I buy N-(3-Cyanophenyl)-3-(1,3-dioxoisoindolin-2-yl)propanamide?
You can request a quote for N-(3-Cyanophenyl)-3-(1,3-dioxoisoindolin-2-yl)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-Cyanophenyl)-3-(1,3-dioxoisoindolin-2-yl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-Cyanophenyl)-3-(1,3-dioxoisoindolin-2-yl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.