![[1-(3,4-dichlorobenzyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]propanedinitrile structure](/static/products/4553/4553-61-1.webp)
[1-(3,4-dichlorobenzyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]propanedinitrile
TL;DR: [1-(3,4-dichlorobenzyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]propanedinitrile (CAS 4553-61-1) is a chemical compound with molecular formula C18H9Cl2N3O and molecular weight 353.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-[(3,4-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]propanedinitrile
Also Known As: [1-(3,4-dichlorobenzyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]propanedinitrile|2-[1-[(3,4-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]propanedinitrile|{1-[(3,4-Dichlorophenyl)methyl]-2-oxo-1,2-dihydro-3H-indol-3-ylidene}propanedinitrile
| Molecular Formula | C18H9Cl2N3O |
|---|---|
| Molecular Weight | 353.01 g/mol |
| LogP | 4.34096 |
| Topological Polar Surface Area | 67.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 353.01227 |
| Heavy Atoms | 24 |
| Complexity | 950.95966 |
Chemical Identifiers
| CAS Number | 4553-61-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(C#N)C#N)C(=O)N2CC3=CC(=C(C=C3)Cl)Cl |
Product Overview
[1-(3,4-dichlorobenzyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]propanedinitrile (CAS 4553-61-1), with molecular formula C18H9Cl2N3O and molecular weight 353.01 g/mol. IUPAC: 2-[1-[(3,4-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]propanedinitrile.
Chemical Property Profile of [1-(3,4-dichlorobenzyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]propanedinitrile
Property Insights of [1-(3,4-dichlorobenzyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]propanedinitrile
The XLogP value of 4.34096 indicates that [1-(3,4-dichlorobenzyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]propanedinitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.89 Ų falls within the moderate polarity range, balancing permeability and solubility for [1-(3,4-dichlorobenzyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]propanedinitrile. Following Lipinski's Rule of Five, [1-(3,4-dichlorobenzyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]propanedinitrile has 0 hydrogen bond donor(s) and 3 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 [1-(3,4-dichlorobenzyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]propanedinitrile?
The CAS number of [1-(3,4-dichlorobenzyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]propanedinitrile is 4553-61-1.
What is the molecular formula of [1-(3,4-dichlorobenzyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]propanedinitrile?
The molecular formula of [1-(3,4-dichlorobenzyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]propanedinitrile is C18H9Cl2N3O.
What is the molecular weight of [1-(3,4-dichlorobenzyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]propanedinitrile?
The molecular weight of [1-(3,4-dichlorobenzyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]propanedinitrile is 353.01 g/mol.
Where can I buy [1-(3,4-dichlorobenzyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]propanedinitrile?
You can request a quote for [1-(3,4-dichlorobenzyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [1-(3,4-dichlorobenzyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for [1-(3,4-dichlorobenzyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.