![2-[4-(1H-pyrrol-1-yl)phenyl]acetonitrile structure](/static/products/2210/22106-34-9.webp)
2-[4-(1H-pyrrol-1-yl)phenyl]acetonitrile
TL;DR: 2-[4-(1H-pyrrol-1-yl)phenyl]acetonitrile (CAS 22106-34-9) is a chemical compound with molecular formula C12H10N2 and molecular weight 182.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-pyrrol-1-ylphenyl)acetonitrile
Also Known As: 2-[4-(1H-pyrrol-1-yl)phenyl]acetonitrile, 2-(4-pyrrol-1-ylphenyl)acetonitrile, Benzeneacetonitrile, 4-(1H-pyrrol-1-yl)-, [4-(1H-pyrrol-1-yl)phenyl]acetonitrile, 2-[4-(pyrrol-1-yl)phenyl]acetonitrile
| Molecular Formula | C12H10N2 |
|---|---|
| Molecular Weight | 182.08 g/mol |
| LogP | 2.54338 |
| Topological Polar Surface Area | 28.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 182.0844 |
| Heavy Atoms | 14 |
| Complexity | 432.174 |
Chemical Identifiers
| CAS Number | 22106-34-9 |
|---|---|
| SMILES | C1=CN(C=C1)C2=CC=C(C=C2)CC#N |
Product Overview
2-[4-(1H-pyrrol-1-yl)phenyl]acetonitrile (CAS 22106-34-9), with molecular formula C12H10N2 and molecular weight 182.08 g/mol. IUPAC: 2-(4-pyrrol-1-ylphenyl)acetonitrile.
Chemical Property Profile of 2-[4-(1H-pyrrol-1-yl)phenyl]acetonitrile
Property Insights of 2-[4-(1H-pyrrol-1-yl)phenyl]acetonitrile
The XLogP value of 2.54338 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-(1H-pyrrol-1-yl)phenyl]acetonitrile. With a topological polar surface area (TPSA) of 28.72 Ų, 2-[4-(1H-pyrrol-1-yl)phenyl]acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[4-(1H-pyrrol-1-yl)phenyl]acetonitrile has 0 hydrogen bond donor(s) and 1 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-[4-(1H-pyrrol-1-yl)phenyl]acetonitrile?
The CAS number of 2-[4-(1H-pyrrol-1-yl)phenyl]acetonitrile is 22106-34-9.
What is the molecular formula of 2-[4-(1H-pyrrol-1-yl)phenyl]acetonitrile?
The molecular formula of 2-[4-(1H-pyrrol-1-yl)phenyl]acetonitrile is C12H10N2.
What is the molecular weight of 2-[4-(1H-pyrrol-1-yl)phenyl]acetonitrile?
The molecular weight of 2-[4-(1H-pyrrol-1-yl)phenyl]acetonitrile is 182.08 g/mol.
Where can I buy 2-[4-(1H-pyrrol-1-yl)phenyl]acetonitrile?
You can request a quote for 2-[4-(1H-pyrrol-1-yl)phenyl]acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-(1H-pyrrol-1-yl)phenyl]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(1H-pyrrol-1-yl)phenyl]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.