2-(2-formyl-1H-pyrrol-1-yl)benzonitrile
TL;DR: 2-(2-formyl-1H-pyrrol-1-yl)benzonitrile (CAS 68557-19-7) is a chemical compound with molecular formula C12H8N2O and molecular weight 196.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-formylpyrrol-1-yl)benzonitrile
Also Known As: 2-(2-formyl-1H-pyrrol-1-yl)benzonitrile, 2-(2-formylpyrrol-1-yl)benzonitrile, Benzonitrile, 2-(2-formyl-1H-pyrrol-1-yl)-, 2-(2-formyl-pyrrol-1-yl)-benzonitrile, 1-(2-Cyanophenyl)-1H-pyrrole-2-carbaldehyde
| Molecular Formula | C12H8N2O |
|---|---|
| Molecular Weight | 196.06 g/mol |
| LogP | 2.16148 |
| Topological Polar Surface Area | 45.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 196.06366 |
| Heavy Atoms | 15 |
| Complexity | 534.5503 |
Chemical Identifiers
| CAS Number | 68557-19-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C#N)N2C=CC=C2C=O |
Product Overview
2-(2-formyl-1H-pyrrol-1-yl)benzonitrile (CAS 68557-19-7), with molecular formula C12H8N2O and molecular weight 196.06 g/mol. IUPAC: 2-(2-formylpyrrol-1-yl)benzonitrile.
Chemical Property Profile of 2-(2-formyl-1H-pyrrol-1-yl)benzonitrile
Property Insights of 2-(2-formyl-1H-pyrrol-1-yl)benzonitrile
The XLogP value of 2.16148 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-formyl-1H-pyrrol-1-yl)benzonitrile. With a topological polar surface area (TPSA) of 45.79 Ų, 2-(2-formyl-1H-pyrrol-1-yl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-formyl-1H-pyrrol-1-yl)benzonitrile 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-(2-formyl-1H-pyrrol-1-yl)benzonitrile?
The CAS number of 2-(2-formyl-1H-pyrrol-1-yl)benzonitrile is 68557-19-7.
What is the molecular formula of 2-(2-formyl-1H-pyrrol-1-yl)benzonitrile?
The molecular formula of 2-(2-formyl-1H-pyrrol-1-yl)benzonitrile is C12H8N2O.
What is the molecular weight of 2-(2-formyl-1H-pyrrol-1-yl)benzonitrile?
The molecular weight of 2-(2-formyl-1H-pyrrol-1-yl)benzonitrile is 196.06 g/mol.
Where can I buy 2-(2-formyl-1H-pyrrol-1-yl)benzonitrile?
You can request a quote for 2-(2-formyl-1H-pyrrol-1-yl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-formyl-1H-pyrrol-1-yl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-formyl-1H-pyrrol-1-yl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.