![[(3E)-3-benzylidene-1,3-dihydro-2H-indol-2-ylidene]propanedinitrile structure](/static/products/573/573937-31-2.png)
[(3E)-3-benzylidene-1,3-dihydro-2H-indol-2-ylidene]propanedinitrile
TL;DR: [(3E)-3-benzylidene-1,3-dihydro-2H-indol-2-ylidene]propanedinitrile (CAS 573937-31-2) is a chemical compound with molecular formula C18H11N3 and molecular weight 269.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3E)-3-benzylidene-1H-indol-2-ylidene]propanedinitrile
Also Known As: AB01332165-02, AB01332165-03, (E)-2-(3-benzylideneindolin-2-ylidene)malononitrile, 2-[(3E)-3-benzylidene-1H-indol-2-ylidene]propanedinitrile, [(3E)-3-benzylidene-1,3-dihydro-2H-indol-2-ylidene]propanedinitrile
| Molecular Formula | C18H11N3 |
|---|---|
| Molecular Weight | 269.10 g/mol |
| LogP | 2.19456 |
| Topological Polar Surface Area | 63.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 269.0953 |
| Heavy Atoms | 21 |
| Complexity | 980.52856 |
Chemical Identifiers
| CAS Number | 573937-31-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/2\C3=CC=CC=C3NC2=C(C#N)C#N |
Product Overview
[(3E)-3-benzylidene-1,3-dihydro-2H-indol-2-ylidene]propanedinitrile (CAS 573937-31-2), with molecular formula C18H11N3 and molecular weight 269.10 g/mol. IUPAC: 2-[(3E)-3-benzylidene-1H-indol-2-ylidene]propanedinitrile.
Chemical Property Profile of [(3E)-3-benzylidene-1,3-dihydro-2H-indol-2-ylidene]propanedinitrile
Property Insights of [(3E)-3-benzylidene-1,3-dihydro-2H-indol-2-ylidene]propanedinitrile
The XLogP value of 2.19456 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(3E)-3-benzylidene-1,3-dihydro-2H-indol-2-ylidene]propanedinitrile. The TPSA of 63.37 Ų falls within the moderate polarity range, balancing permeability and solubility for [(3E)-3-benzylidene-1,3-dihydro-2H-indol-2-ylidene]propanedinitrile. Following Lipinski's Rule of Five, [(3E)-3-benzylidene-1,3-dihydro-2H-indol-2-ylidene]propanedinitrile has 1 hydrogen bond donor(s) and 2 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 [(3E)-3-benzylidene-1,3-dihydro-2H-indol-2-ylidene]propanedinitrile?
The CAS number of [(3E)-3-benzylidene-1,3-dihydro-2H-indol-2-ylidene]propanedinitrile is 573937-31-2.
What is the molecular formula of [(3E)-3-benzylidene-1,3-dihydro-2H-indol-2-ylidene]propanedinitrile?
The molecular formula of [(3E)-3-benzylidene-1,3-dihydro-2H-indol-2-ylidene]propanedinitrile is C18H11N3.
What is the molecular weight of [(3E)-3-benzylidene-1,3-dihydro-2H-indol-2-ylidene]propanedinitrile?
The molecular weight of [(3E)-3-benzylidene-1,3-dihydro-2H-indol-2-ylidene]propanedinitrile is 269.10 g/mol.
Where can I buy [(3E)-3-benzylidene-1,3-dihydro-2H-indol-2-ylidene]propanedinitrile?
You can request a quote for [(3E)-3-benzylidene-1,3-dihydro-2H-indol-2-ylidene]propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(3E)-3-benzylidene-1,3-dihydro-2H-indol-2-ylidene]propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for [(3E)-3-benzylidene-1,3-dihydro-2H-indol-2-ylidene]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.