![[(2,5-diphenyl-1H-pyrrol-3-yl)methylidene]propanedinitrile structure](/static/products/114/114898-85-0.png)
[(2,5-diphenyl-1H-pyrrol-3-yl)methylidene]propanedinitrile
TL;DR: [(2,5-diphenyl-1H-pyrrol-3-yl)methylidene]propanedinitrile (CAS 114898-85-0) is a chemical compound with molecular formula C20H13N3 and molecular weight 295.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,5-diphenyl-1H-pyrrol-3-yl)methylidene]propanedinitrile
Also Known As: AB01334749-02, [(2,5-diphenyl-1H-pyrrol-3-yl)methylidene]propanedinitrile, 2-[(2,5-diphenyl-1H-pyrrol-3-yl)methylidene]propanedinitrile, [(2,5-diphenylpyrrol-3-yl)methylene]methane-1,1-dicarbonitrile
| Molecular Formula | C20H13N3 |
|---|---|
| Molecular Weight | 295.11 g/mol |
| LogP | 4.77926 |
| Topological Polar Surface Area | 63.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.11096 |
| Heavy Atoms | 23 |
| Complexity | 904.5133 |
Chemical Identifiers
| CAS Number | 114898-85-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC(=C(N2)C3=CC=CC=C3)C=C(C#N)C#N |
Product Overview
[(2,5-diphenyl-1H-pyrrol-3-yl)methylidene]propanedinitrile (CAS 114898-85-0), with molecular formula C20H13N3 and molecular weight 295.11 g/mol. IUPAC: 2-[(2,5-diphenyl-1H-pyrrol-3-yl)methylidene]propanedinitrile.
Chemical Property Profile of [(2,5-diphenyl-1H-pyrrol-3-yl)methylidene]propanedinitrile
Property Insights of [(2,5-diphenyl-1H-pyrrol-3-yl)methylidene]propanedinitrile
The XLogP value of 4.77926 indicates that [(2,5-diphenyl-1H-pyrrol-3-yl)methylidene]propanedinitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.37 Ų falls within the moderate polarity range, balancing permeability and solubility for [(2,5-diphenyl-1H-pyrrol-3-yl)methylidene]propanedinitrile. Following Lipinski's Rule of Five, [(2,5-diphenyl-1H-pyrrol-3-yl)methylidene]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 [(2,5-diphenyl-1H-pyrrol-3-yl)methylidene]propanedinitrile?
The CAS number of [(2,5-diphenyl-1H-pyrrol-3-yl)methylidene]propanedinitrile is 114898-85-0.
What is the molecular formula of [(2,5-diphenyl-1H-pyrrol-3-yl)methylidene]propanedinitrile?
The molecular formula of [(2,5-diphenyl-1H-pyrrol-3-yl)methylidene]propanedinitrile is C20H13N3.
What is the molecular weight of [(2,5-diphenyl-1H-pyrrol-3-yl)methylidene]propanedinitrile?
The molecular weight of [(2,5-diphenyl-1H-pyrrol-3-yl)methylidene]propanedinitrile is 295.11 g/mol.
Where can I buy [(2,5-diphenyl-1H-pyrrol-3-yl)methylidene]propanedinitrile?
You can request a quote for [(2,5-diphenyl-1H-pyrrol-3-yl)methylidene]propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(2,5-diphenyl-1H-pyrrol-3-yl)methylidene]propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for [(2,5-diphenyl-1H-pyrrol-3-yl)methylidene]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.