4-Phenyl-1H-pyrrole-3-carbonitrile
TL;DR: 4-Phenyl-1H-pyrrole-3-carbonitrile (CAS 40167-37-1) is a chemical compound with molecular formula C11H8N2 and molecular weight 168.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenyl-1H-pyrrole-3-carbonitrile
Also Known As: 4-phenyl-1H-pyrrole-3-carbonitrile, 3-cyano-4-phenylpyrrole, 4-phenylpyrrole-3-carbonitrile, 3-CYANO-4-PHENYL-PYRROLE, 3-Cyano-4-phenyl-1H-pyrrole
| Molecular Formula | C11H8N2 |
|---|---|
| Molecular Weight | 168.07 g/mol |
| LogP | 2.55338 |
| Topological Polar Surface Area | 39.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.06874 |
| Heavy Atoms | 13 |
| Complexity | 434.6139 |
Chemical Identifiers
| CAS Number | 40167-37-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CNC=C2C#N |
Product Overview
4-Phenyl-1H-pyrrole-3-carbonitrile (CAS 40167-37-1), with molecular formula C11H8N2 and molecular weight 168.07 g/mol. IUPAC: 4-phenyl-1H-pyrrole-3-carbonitrile.
Chemical Property Profile of 4-Phenyl-1H-pyrrole-3-carbonitrile
Property Insights of 4-Phenyl-1H-pyrrole-3-carbonitrile
The XLogP value of 2.55338 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Phenyl-1H-pyrrole-3-carbonitrile. With a topological polar surface area (TPSA) of 39.58 Ų, 4-Phenyl-1H-pyrrole-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Phenyl-1H-pyrrole-3-carbonitrile has 1 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 4-Phenyl-1H-pyrrole-3-carbonitrile?
The CAS number of 4-Phenyl-1H-pyrrole-3-carbonitrile is 40167-37-1.
What is the molecular formula of 4-Phenyl-1H-pyrrole-3-carbonitrile?
The molecular formula of 4-Phenyl-1H-pyrrole-3-carbonitrile is C11H8N2.
What is the molecular weight of 4-Phenyl-1H-pyrrole-3-carbonitrile?
The molecular weight of 4-Phenyl-1H-pyrrole-3-carbonitrile is 168.07 g/mol.
Where can I buy 4-Phenyl-1H-pyrrole-3-carbonitrile?
You can request a quote for 4-Phenyl-1H-pyrrole-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Phenyl-1H-pyrrole-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Phenyl-1H-pyrrole-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.