1-(4-Cyanophenyl)-2,5-dimethylpyrrole
TL;DR: 1-(4-Cyanophenyl)-2,5-dimethylpyrrole (CAS 119516-86-8) is a chemical compound with molecular formula C13H12N2 and molecular weight 196.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,5-dimethylpyrrol-1-yl)benzonitrile
Also Known As: 1-(4-Cyanophenyl)-2,5-dimethylpyrrole, 4-(2,5-dimethylpyrrol-1-yl)benzonitrile, 4-(2,5-dimethyl-1H-pyrrol-1-yl)benzonitrile, Benzonitrile, 4-(2,5-dimethyl-1H-pyrrol-1-yl)-, 2,5-Dimethyl-1-(4-cyanophenyl)pyrrole
| Molecular Formula | C13H12N2 |
|---|---|
| Molecular Weight | 196.10 g/mol |
| LogP | 2.96582 |
| Topological Polar Surface Area | 28.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 196.10005 |
| Heavy Atoms | 15 |
| Complexity | 492.95926 |
Chemical Identifiers
| CAS Number | 119516-86-8 |
|---|---|
| SMILES | CC1=CC=C(N1C2=CC=C(C=C2)C#N)C |
Product Overview
1-(4-Cyanophenyl)-2,5-dimethylpyrrole (CAS 119516-86-8), with molecular formula C13H12N2 and molecular weight 196.10 g/mol. IUPAC: 4-(2,5-dimethylpyrrol-1-yl)benzonitrile.
Chemical Property Profile of 1-(4-Cyanophenyl)-2,5-dimethylpyrrole
Property Insights of 1-(4-Cyanophenyl)-2,5-dimethylpyrrole
The XLogP value of 2.96582 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Cyanophenyl)-2,5-dimethylpyrrole. With a topological polar surface area (TPSA) of 28.72 Ų, 1-(4-Cyanophenyl)-2,5-dimethylpyrrole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Cyanophenyl)-2,5-dimethylpyrrole 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 1-(4-Cyanophenyl)-2,5-dimethylpyrrole?
The CAS number of 1-(4-Cyanophenyl)-2,5-dimethylpyrrole is 119516-86-8.
What is the molecular formula of 1-(4-Cyanophenyl)-2,5-dimethylpyrrole?
The molecular formula of 1-(4-Cyanophenyl)-2,5-dimethylpyrrole is C13H12N2.
What is the molecular weight of 1-(4-Cyanophenyl)-2,5-dimethylpyrrole?
The molecular weight of 1-(4-Cyanophenyl)-2,5-dimethylpyrrole is 196.10 g/mol.
Where can I buy 1-(4-Cyanophenyl)-2,5-dimethylpyrrole?
You can request a quote for 1-(4-Cyanophenyl)-2,5-dimethylpyrrole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Cyanophenyl)-2,5-dimethylpyrrole?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Cyanophenyl)-2,5-dimethylpyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.