2-(2,5-dimethyl-1H-pyrrol-1-yl)benzenecarbonitrile
TL;DR: 2-(2,5-dimethyl-1H-pyrrol-1-yl)benzenecarbonitrile (CAS 124678-40-6) 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.
2-(2,5-dimethylpyrrol-1-yl)benzonitrile
Also Known As: 2-(2,5-dimethylpyrrol-1-yl)benzonitrile, 2-(2,5-dimethyl-1H-pyrrol-1-yl)benzonitrile, 2-(2,5-dimethyl-1H-pyrrol-1-yl)benzenecarbonitrile, N-(2'-cyanophenyl)-2,5-dimethylpyrrole, 9R-1012
| 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 | 510.20926 |
Chemical Identifiers
| CAS Number | 124678-40-6 |
|---|---|
| SMILES | CC1=CC=C(N1C2=CC=CC=C2C#N)C |
Product Overview
2-(2,5-dimethyl-1H-pyrrol-1-yl)benzenecarbonitrile (CAS 124678-40-6), with molecular formula C13H12N2 and molecular weight 196.10 g/mol. IUPAC: 2-(2,5-dimethylpyrrol-1-yl)benzonitrile.
Chemical Property Profile of 2-(2,5-dimethyl-1H-pyrrol-1-yl)benzenecarbonitrile
Property Insights of 2-(2,5-dimethyl-1H-pyrrol-1-yl)benzenecarbonitrile
The XLogP value of 2.96582 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2,5-dimethyl-1H-pyrrol-1-yl)benzenecarbonitrile. With a topological polar surface area (TPSA) of 28.72 Ų, 2-(2,5-dimethyl-1H-pyrrol-1-yl)benzenecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2,5-dimethyl-1H-pyrrol-1-yl)benzenecarbonitrile 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-(2,5-dimethyl-1H-pyrrol-1-yl)benzenecarbonitrile?
The CAS number of 2-(2,5-dimethyl-1H-pyrrol-1-yl)benzenecarbonitrile is 124678-40-6.
What is the molecular formula of 2-(2,5-dimethyl-1H-pyrrol-1-yl)benzenecarbonitrile?
The molecular formula of 2-(2,5-dimethyl-1H-pyrrol-1-yl)benzenecarbonitrile is C13H12N2.
What is the molecular weight of 2-(2,5-dimethyl-1H-pyrrol-1-yl)benzenecarbonitrile?
The molecular weight of 2-(2,5-dimethyl-1H-pyrrol-1-yl)benzenecarbonitrile is 196.10 g/mol.
Where can I buy 2-(2,5-dimethyl-1H-pyrrol-1-yl)benzenecarbonitrile?
You can request a quote for 2-(2,5-dimethyl-1H-pyrrol-1-yl)benzenecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,5-dimethyl-1H-pyrrol-1-yl)benzenecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,5-dimethyl-1H-pyrrol-1-yl)benzenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.