(E)-3-(4-chlorophenyl)-2-cyano-N-(1,3-dioxoisoindol-4-yl)prop-2-enamide
TL;DR: (E)-3-(4-chlorophenyl)-2-cyano-N-(1,3-dioxoisoindol-4-yl)prop-2-enamide (CAS 753467-22-0) is a chemical compound with molecular formula C18H10ClN3O3 and molecular weight 351.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(4-chlorophenyl)-2-cyano-N-(1,3-dioxoisoindol-4-yl)prop-2-enamide
Also Known As: (E)-3-(4-chlorophenyl)-2-cyano-N-(1,3-dioxoisoindol-4-yl)prop-2-enamide, 3-(4-chlorophenyl)-2-cyano-N-(1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl)prop-2-enamide
| Molecular Formula | C18H10ClN3O3 |
|---|---|
| Molecular Weight | 351.04 g/mol |
| LogP | 2.76928 |
| Topological Polar Surface Area | 99.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 351.04108 |
| Heavy Atoms | 25 |
| Complexity | 972.0511 |
Chemical Identifiers
| CAS Number | 753467-22-0 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)NC(=O)/C(=C/C3=CC=C(C=C3)Cl)/C#N)C(=O)NC2=O |
Product Overview
(E)-3-(4-chlorophenyl)-2-cyano-N-(1,3-dioxoisoindol-4-yl)prop-2-enamide (CAS 753467-22-0), with molecular formula C18H10ClN3O3 and molecular weight 351.04 g/mol. IUPAC: (E)-3-(4-chlorophenyl)-2-cyano-N-(1,3-dioxoisoindol-4-yl)prop-2-enamide.
Chemical Property Profile of (E)-3-(4-chlorophenyl)-2-cyano-N-(1,3-dioxoisoindol-4-yl)prop-2-enamide
Property Insights of (E)-3-(4-chlorophenyl)-2-cyano-N-(1,3-dioxoisoindol-4-yl)prop-2-enamide
The XLogP value of 2.76928 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-(4-chlorophenyl)-2-cyano-N-(1,3-dioxoisoindol-4-yl)prop-2-enamide. The TPSA of 99.06 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(4-chlorophenyl)-2-cyano-N-(1,3-dioxoisoindol-4-yl)prop-2-enamide. Following Lipinski's Rule of Five, (E)-3-(4-chlorophenyl)-2-cyano-N-(1,3-dioxoisoindol-4-yl)prop-2-enamide 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 (E)-3-(4-chlorophenyl)-2-cyano-N-(1,3-dioxoisoindol-4-yl)prop-2-enamide?
The CAS number of (E)-3-(4-chlorophenyl)-2-cyano-N-(1,3-dioxoisoindol-4-yl)prop-2-enamide is 753467-22-0.
What is the molecular formula of (E)-3-(4-chlorophenyl)-2-cyano-N-(1,3-dioxoisoindol-4-yl)prop-2-enamide?
The molecular formula of (E)-3-(4-chlorophenyl)-2-cyano-N-(1,3-dioxoisoindol-4-yl)prop-2-enamide is C18H10ClN3O3.
What is the molecular weight of (E)-3-(4-chlorophenyl)-2-cyano-N-(1,3-dioxoisoindol-4-yl)prop-2-enamide?
The molecular weight of (E)-3-(4-chlorophenyl)-2-cyano-N-(1,3-dioxoisoindol-4-yl)prop-2-enamide is 351.04 g/mol.
Where can I buy (E)-3-(4-chlorophenyl)-2-cyano-N-(1,3-dioxoisoindol-4-yl)prop-2-enamide?
You can request a quote for (E)-3-(4-chlorophenyl)-2-cyano-N-(1,3-dioxoisoindol-4-yl)prop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-(4-chlorophenyl)-2-cyano-N-(1,3-dioxoisoindol-4-yl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(4-chlorophenyl)-2-cyano-N-(1,3-dioxoisoindol-4-yl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.