3-(2-formyl-1H-pyrrol-1-yl)benzonitrile
TL;DR: 3-(2-formyl-1H-pyrrol-1-yl)benzonitrile (CAS 209958-45-2) 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.
3-(2-formylpyrrol-1-yl)benzonitrile
Also Known As: 3-(2-formyl-1H-pyrrol-1-yl)benzonitrile, 3- benzonitrile, 3-(2-formylpyrrol-1-yl)benzonitrile, 4-Trifluoromethyl-pyridin-3-ol, SP391
| 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 | 209958-45-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N2C=CC=C2C=O)C#N |
Product Overview
3-(2-formyl-1H-pyrrol-1-yl)benzonitrile (CAS 209958-45-2), with molecular formula C12H8N2O and molecular weight 196.06 g/mol. IUPAC: 3-(2-formylpyrrol-1-yl)benzonitrile.
Chemical Property Profile of 3-(2-formyl-1H-pyrrol-1-yl)benzonitrile
Property Insights of 3-(2-formyl-1H-pyrrol-1-yl)benzonitrile
The XLogP value of 2.16148 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-formyl-1H-pyrrol-1-yl)benzonitrile. With a topological polar surface area (TPSA) of 45.79 Ų, 3-(2-formyl-1H-pyrrol-1-yl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(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 3-(2-formyl-1H-pyrrol-1-yl)benzonitrile?
The CAS number of 3-(2-formyl-1H-pyrrol-1-yl)benzonitrile is 209958-45-2.
What is the molecular formula of 3-(2-formyl-1H-pyrrol-1-yl)benzonitrile?
The molecular formula of 3-(2-formyl-1H-pyrrol-1-yl)benzonitrile is C12H8N2O.
What is the molecular weight of 3-(2-formyl-1H-pyrrol-1-yl)benzonitrile?
The molecular weight of 3-(2-formyl-1H-pyrrol-1-yl)benzonitrile is 196.06 g/mol.
Where can I buy 3-(2-formyl-1H-pyrrol-1-yl)benzonitrile?
You can request a quote for 3-(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 3-(2-formyl-1H-pyrrol-1-yl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-formyl-1H-pyrrol-1-yl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.