4-cyanophenyl 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoate
TL;DR: 4-cyanophenyl 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoate (CAS 727980-91-8) is a chemical compound with molecular formula C18H12N2O4 and molecular weight 320.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-cyanophenyl) 2-(1,3-dioxoisoindol-2-yl)propanoate
Also Known As: 4-cyanophenyl 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoate, (4-cyanophenyl) 2-(1,3-dioxoisoindol-2-yl)propanoate, 4-cyanophenyl 2-(1,3-dioxoisoindol-2-yl)propanoate, (4-cyanophenyl) 2-(1,3-dioxoisoindolin-2-yl)propanoate, 4-cyanophenyl2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoate
| Molecular Formula | C18H12N2O4 |
|---|---|
| Molecular Weight | 320.08 g/mol |
| LogP | 2.14838 |
| Topological Polar Surface Area | 87.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 320.0797 |
| Heavy Atoms | 24 |
| Complexity | 845.6369 |
Chemical Identifiers
| CAS Number | 727980-91-8 |
|---|---|
| SMILES | CC(C(=O)OC1=CC=C(C=C1)C#N)N2C(=O)C3=CC=CC=C3C2=O |
Product Overview
4-cyanophenyl 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoate (CAS 727980-91-8), with molecular formula C18H12N2O4 and molecular weight 320.08 g/mol. IUPAC: (4-cyanophenyl) 2-(1,3-dioxoisoindol-2-yl)propanoate.
Chemical Property Profile of 4-cyanophenyl 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoate
Property Insights of 4-cyanophenyl 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoate
The XLogP value of 2.14838 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-cyanophenyl 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoate. The TPSA of 87.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-cyanophenyl 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoate. Following Lipinski's Rule of Five, 4-cyanophenyl 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoate has 0 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 4-cyanophenyl 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoate?
The CAS number of 4-cyanophenyl 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoate is 727980-91-8.
What is the molecular formula of 4-cyanophenyl 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoate?
The molecular formula of 4-cyanophenyl 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoate is C18H12N2O4.
What is the molecular weight of 4-cyanophenyl 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoate?
The molecular weight of 4-cyanophenyl 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoate is 320.08 g/mol.
Where can I buy 4-cyanophenyl 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoate?
You can request a quote for 4-cyanophenyl 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-cyanophenyl 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for 4-cyanophenyl 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.