![N-[4-(diethylamino)phenyl]-3-(1,3-dioxoisoindol-2-yl)-2-oxobutanimidoyl cyanide structure](/static/products/113/113796-32-0.png)
N-[4-(diethylamino)phenyl]-3-(1,3-dioxoisoindol-2-yl)-2-oxobutanimidoyl cyanide
TL;DR: N-[4-(diethylamino)phenyl]-3-(1,3-dioxoisoindol-2-yl)-2-oxobutanimidoyl cyanide (CAS 113796-32-0) is a chemical compound with molecular formula C23H22N4O3 and molecular weight 402.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(diethylamino)phenyl]-3-(1,3-dioxoisoindol-2-yl)-2-oxobutanimidoyl cyanide
Also Known As: 2-(4-Diaethylamino-phenylimino)-3-oxo-4-phthalimido-valeronitril, 2-(4-diethylamino-phenylimino)-3-oxo-4-phthalimido-valeronitrile, N-[4-(diethylamino)phenyl]-3-(1,3-dioxoisoindol-2-yl)-2-oxobutanimidoyl cyanide
| Molecular Formula | C23H22N4O3 |
|---|---|
| Molecular Weight | 402.17 g/mol |
| LogP | 3.38268 |
| Topological Polar Surface Area | 93.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 402.1692 |
| Heavy Atoms | 30 |
| Complexity | 1027.601 |
Chemical Identifiers
| CAS Number | 113796-32-0 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)N=C(C#N)C(=O)C(C)N2C(=O)C3=CC=CC=C3C2=O |
Product Overview
N-[4-(diethylamino)phenyl]-3-(1,3-dioxoisoindol-2-yl)-2-oxobutanimidoyl cyanide (CAS 113796-32-0), with molecular formula C23H22N4O3 and molecular weight 402.17 g/mol. IUPAC: N-[4-(diethylamino)phenyl]-3-(1,3-dioxoisoindol-2-yl)-2-oxobutanimidoyl cyanide.
Chemical Property Profile of N-[4-(diethylamino)phenyl]-3-(1,3-dioxoisoindol-2-yl)-2-oxobutanimidoyl cyanide
Property Insights of N-[4-(diethylamino)phenyl]-3-(1,3-dioxoisoindol-2-yl)-2-oxobutanimidoyl cyanide
The XLogP value of 3.38268 indicates that N-[4-(diethylamino)phenyl]-3-(1,3-dioxoisoindol-2-yl)-2-oxobutanimidoyl cyanide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.84 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[4-(diethylamino)phenyl]-3-(1,3-dioxoisoindol-2-yl)-2-oxobutanimidoyl cyanide. Following Lipinski's Rule of Five, N-[4-(diethylamino)phenyl]-3-(1,3-dioxoisoindol-2-yl)-2-oxobutanimidoyl cyanide has 0 hydrogen bond donor(s) and 6 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-[4-(diethylamino)phenyl]-3-(1,3-dioxoisoindol-2-yl)-2-oxobutanimidoyl cyanide?
The CAS number of N-[4-(diethylamino)phenyl]-3-(1,3-dioxoisoindol-2-yl)-2-oxobutanimidoyl cyanide is 113796-32-0.
What is the molecular formula of N-[4-(diethylamino)phenyl]-3-(1,3-dioxoisoindol-2-yl)-2-oxobutanimidoyl cyanide?
The molecular formula of N-[4-(diethylamino)phenyl]-3-(1,3-dioxoisoindol-2-yl)-2-oxobutanimidoyl cyanide is C23H22N4O3.
What is the molecular weight of N-[4-(diethylamino)phenyl]-3-(1,3-dioxoisoindol-2-yl)-2-oxobutanimidoyl cyanide?
The molecular weight of N-[4-(diethylamino)phenyl]-3-(1,3-dioxoisoindol-2-yl)-2-oxobutanimidoyl cyanide is 402.17 g/mol.
Where can I buy N-[4-(diethylamino)phenyl]-3-(1,3-dioxoisoindol-2-yl)-2-oxobutanimidoyl cyanide?
You can request a quote for N-[4-(diethylamino)phenyl]-3-(1,3-dioxoisoindol-2-yl)-2-oxobutanimidoyl cyanide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[4-(diethylamino)phenyl]-3-(1,3-dioxoisoindol-2-yl)-2-oxobutanimidoyl cyanide?
Yes, KEHONG BIO provides custom synthesis services for N-[4-(diethylamino)phenyl]-3-(1,3-dioxoisoindol-2-yl)-2-oxobutanimidoyl cyanide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.