Benzonitrile, 4-(1H-pyrrol-2-yl-2H-pyrrol-2-ylidenemethyl)-
TL;DR: Benzonitrile, 4-(1H-pyrrol-2-yl-2H-pyrrol-2-ylidenemethyl)- (CAS 668984-26-7) is a chemical compound with molecular formula C16H11N3 and molecular weight 245.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[1H-pyrrol-2-yl(pyrrol-2-ylidene)methyl]benzonitrile
Also Known As: Benzonitrile, 4-(1H-pyrrol-2-yl-2H-pyrrol-2-ylidenemethyl)-, 4-(1H-pyrrol-2-yl-pyrrol-2-ylidene-methyl)benzonitrile, 4-[1H-pyrrol-2-yl(pyrrol-2-ylidene)methyl]benzonitrile, 4-[(1H-pyrrol-2-yl)(2H-pyrrol-2-ylidene)methyl]benzonitrile
| Molecular Formula | C16H11N3 |
|---|---|
| Molecular Weight | 245.10 g/mol |
| LogP | 3.28638 |
| Topological Polar Surface Area | 51.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 245.09529 |
| Heavy Atoms | 19 |
| Complexity | 694.35455 |
Chemical Identifiers
| CAS Number | 668984-26-7 |
|---|---|
| SMILES | C1=CC(=C(C2=CC=C(C=C2)C#N)C3=CC=CN3)N=C1 |
Product Overview
Benzonitrile, 4-(1H-pyrrol-2-yl-2H-pyrrol-2-ylidenemethyl)- (CAS 668984-26-7), with molecular formula C16H11N3 and molecular weight 245.10 g/mol. IUPAC: 4-[1H-pyrrol-2-yl(pyrrol-2-ylidene)methyl]benzonitrile.
Chemical Property Profile of Benzonitrile, 4-(1H-pyrrol-2-yl-2H-pyrrol-2-ylidenemethyl)-
Property Insights of Benzonitrile, 4-(1H-pyrrol-2-yl-2H-pyrrol-2-ylidenemethyl)-
The XLogP value of 3.28638 indicates that Benzonitrile, 4-(1H-pyrrol-2-yl-2H-pyrrol-2-ylidenemethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.94 Ų, Benzonitrile, 4-(1H-pyrrol-2-yl-2H-pyrrol-2-ylidenemethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzonitrile, 4-(1H-pyrrol-2-yl-2H-pyrrol-2-ylidenemethyl)- 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 Benzonitrile, 4-(1H-pyrrol-2-yl-2H-pyrrol-2-ylidenemethyl)-?
The CAS number of Benzonitrile, 4-(1H-pyrrol-2-yl-2H-pyrrol-2-ylidenemethyl)- is 668984-26-7.
What is the molecular formula of Benzonitrile, 4-(1H-pyrrol-2-yl-2H-pyrrol-2-ylidenemethyl)-?
The molecular formula of Benzonitrile, 4-(1H-pyrrol-2-yl-2H-pyrrol-2-ylidenemethyl)- is C16H11N3.
What is the molecular weight of Benzonitrile, 4-(1H-pyrrol-2-yl-2H-pyrrol-2-ylidenemethyl)-?
The molecular weight of Benzonitrile, 4-(1H-pyrrol-2-yl-2H-pyrrol-2-ylidenemethyl)- is 245.10 g/mol.
Where can I buy Benzonitrile, 4-(1H-pyrrol-2-yl-2H-pyrrol-2-ylidenemethyl)-?
You can request a quote for Benzonitrile, 4-(1H-pyrrol-2-yl-2H-pyrrol-2-ylidenemethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 4-(1H-pyrrol-2-yl-2H-pyrrol-2-ylidenemethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 4-(1H-pyrrol-2-yl-2H-pyrrol-2-ylidenemethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.