5-(N,N-Bis(4-cyanophenyl)amino)-2-(3-pyridylmethyl)-1H-isoindole-1,3(2H)-dione
TL;DR: 5-(N,N-Bis(4-cyanophenyl)amino)-2-(3-pyridylmethyl)-1H-isoindole-1,3(2H)-dione (CAS 18440-68-1) is a chemical compound with molecular formula C28H17N5O2 and molecular weight 455.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-cyano-N-[1,3-dioxo-2-(pyridin-3-ylmethyl)isoindol-5-yl]anilino)benzonitrile
Also Known As: 5-(N,N-Bis(4-cyanophenyl)amino)-2-(3-pyridylmethyl)-1H-isoindole-1,3(2H)-dione, Benzonitrile, 4,4'-((2,3-dihydro-1,3-dioxo-2-(3-pyridinylmethyl)-1H-isoindol-5-yl)imino)bis-, 4,4'-((2,3-Dihydro-1,3-dioxo-2-(3-pyridinylmethyl)-1H-isoindol-5-yl)imino)bisbenzonitrile, 4,4'-{[1,3-dioxo-2-(pyridin-3-ylmethyl)-2,3-dihydro-1h-isoindol-5-yl]imino}dibenzonitrile, Benzonitrile,4,4'-[[2,3-dihydro-1,3-dioxo-2-(3-pyridinylmethyl)-1H-isoindol-5-yl]imino]bis-
| Molecular Formula | C28H17N5O2 |
|---|---|
| Molecular Weight | 455.14 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 455.1382 |
| Heavy Atoms | 35 |
| Complexity | 850.0 |
Chemical Identifiers
| CAS Number | 18440-68-1 |
|---|---|
| SMILES | C1=CC(=CN=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)N(C4=CC=C(C=C4)C#N)C5=CC=C(C=C5)C#N |
| InChIKey | VIBWDLANWLFIBU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(N,N-Bis(4-cyanophenyl)amino)-2-(3-pyridylmethyl)-1H-isoindole-1,3(2H)-dione (CAS 18440-68-1), with molecular formula C28H17N5O2 and molecular weight 455.14 g/mol. IUPAC: 4-(4-cyano-N-[1,3-dioxo-2-(pyridin-3-ylmethyl)isoindol-5-yl]anilino)benzonitrile.
Chemical Property Profile of 5-(N,N-Bis(4-cyanophenyl)amino)-2-(3-pyridylmethyl)-1H-isoindole-1,3(2H)-dione
Property Insights of 5-(N,N-Bis(4-cyanophenyl)amino)-2-(3-pyridylmethyl)-1H-isoindole-1,3(2H)-dione
The XLogP value of 4.0 indicates that 5-(N,N-Bis(4-cyanophenyl)amino)-2-(3-pyridylmethyl)-1H-isoindole-1,3(2H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(N,N-Bis(4-cyanophenyl)amino)-2-(3-pyridylmethyl)-1H-isoindole-1,3(2H)-dione. Following Lipinski's Rule of Five, 5-(N,N-Bis(4-cyanophenyl)amino)-2-(3-pyridylmethyl)-1H-isoindole-1,3(2H)-dione 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 5-(N,N-Bis(4-cyanophenyl)amino)-2-(3-pyridylmethyl)-1H-isoindole-1,3(2H)-dione?
The CAS number of 5-(N,N-Bis(4-cyanophenyl)amino)-2-(3-pyridylmethyl)-1H-isoindole-1,3(2H)-dione is 18440-68-1.
What is the molecular formula of 5-(N,N-Bis(4-cyanophenyl)amino)-2-(3-pyridylmethyl)-1H-isoindole-1,3(2H)-dione?
The molecular formula of 5-(N,N-Bis(4-cyanophenyl)amino)-2-(3-pyridylmethyl)-1H-isoindole-1,3(2H)-dione is C28H17N5O2.
What is the molecular weight of 5-(N,N-Bis(4-cyanophenyl)amino)-2-(3-pyridylmethyl)-1H-isoindole-1,3(2H)-dione?
The molecular weight of 5-(N,N-Bis(4-cyanophenyl)amino)-2-(3-pyridylmethyl)-1H-isoindole-1,3(2H)-dione is 455.14 g/mol.
Where can I buy 5-(N,N-Bis(4-cyanophenyl)amino)-2-(3-pyridylmethyl)-1H-isoindole-1,3(2H)-dione?
You can request a quote for 5-(N,N-Bis(4-cyanophenyl)amino)-2-(3-pyridylmethyl)-1H-isoindole-1,3(2H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(N,N-Bis(4-cyanophenyl)amino)-2-(3-pyridylmethyl)-1H-isoindole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(N,N-Bis(4-cyanophenyl)amino)-2-(3-pyridylmethyl)-1H-isoindole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.