![2-[cyano(1-methyl-1H-pyrrol-2-yl)methyl]benzenecarbonitrile structure](/static/products/1276/127667-29-2.webp)
2-[cyano(1-methyl-1H-pyrrol-2-yl)methyl]benzenecarbonitrile
TL;DR: 2-[cyano(1-methyl-1H-pyrrol-2-yl)methyl]benzenecarbonitrile (CAS 127667-29-2) is a chemical compound with molecular formula C14H11N3 and molecular weight 221.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[cyano-(1-methylpyrrol-2-yl)methyl]benzonitrile
Also Known As: Bionet2_000937, 2-[cyano(1-methyl-1H-pyrrol-2-yl)methyl]benzonitrile, 2-[cyano(1-methyl-1H-pyrrol-2-yl)methyl]benzenecarbonitrile, 2-[cyano-(1-methylpyrrol-2-yl)methyl]benzonitrile, (2-Cyanophenyl)(1-methyl-1H-pyrrol-2-yl)acetonitrile
| Molecular Formula | C14H11N3 |
|---|---|
| Molecular Weight | 221.10 g/mol |
| LogP | 2.55226 |
| Topological Polar Surface Area | 52.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.09529 |
| Heavy Atoms | 17 |
| Complexity | 610.88293 |
Chemical Identifiers
| CAS Number | 127667-29-2 |
|---|---|
| SMILES | CN1C=CC=C1C(C#N)C2=CC=CC=C2C#N |
Product Overview
2-[cyano(1-methyl-1H-pyrrol-2-yl)methyl]benzenecarbonitrile (CAS 127667-29-2), with molecular formula C14H11N3 and molecular weight 221.10 g/mol. IUPAC: 2-[cyano-(1-methylpyrrol-2-yl)methyl]benzonitrile.
Chemical Property Profile of 2-[cyano(1-methyl-1H-pyrrol-2-yl)methyl]benzenecarbonitrile
Property Insights of 2-[cyano(1-methyl-1H-pyrrol-2-yl)methyl]benzenecarbonitrile
The XLogP value of 2.55226 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[cyano(1-methyl-1H-pyrrol-2-yl)methyl]benzenecarbonitrile. With a topological polar surface area (TPSA) of 52.51 Ų, 2-[cyano(1-methyl-1H-pyrrol-2-yl)methyl]benzenecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[cyano(1-methyl-1H-pyrrol-2-yl)methyl]benzenecarbonitrile has 0 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 2-[cyano(1-methyl-1H-pyrrol-2-yl)methyl]benzenecarbonitrile?
The CAS number of 2-[cyano(1-methyl-1H-pyrrol-2-yl)methyl]benzenecarbonitrile is 127667-29-2.
What is the molecular formula of 2-[cyano(1-methyl-1H-pyrrol-2-yl)methyl]benzenecarbonitrile?
The molecular formula of 2-[cyano(1-methyl-1H-pyrrol-2-yl)methyl]benzenecarbonitrile is C14H11N3.
What is the molecular weight of 2-[cyano(1-methyl-1H-pyrrol-2-yl)methyl]benzenecarbonitrile?
The molecular weight of 2-[cyano(1-methyl-1H-pyrrol-2-yl)methyl]benzenecarbonitrile is 221.10 g/mol.
Where can I buy 2-[cyano(1-methyl-1H-pyrrol-2-yl)methyl]benzenecarbonitrile?
You can request a quote for 2-[cyano(1-methyl-1H-pyrrol-2-yl)methyl]benzenecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[cyano(1-methyl-1H-pyrrol-2-yl)methyl]benzenecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[cyano(1-methyl-1H-pyrrol-2-yl)methyl]benzenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.