4-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzonitrile
TL;DR: 4-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzonitrile (CAS 501913-38-8) is a chemical compound with molecular formula C14H12N2O and molecular weight 224.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-formyl-2,5-dimethylpyrrol-1-yl)benzonitrile
Also Known As: 4-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzonitrile, starbld0032091, OSM-A-8, SP161, 4-(3-formyl-2,5-dimethylpyrrol-1-yl)benzonitrile
| Molecular Formula | C14H12N2O |
|---|---|
| Molecular Weight | 224.09 g/mol |
| LogP | 2.77832 |
| Topological Polar Surface Area | 45.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.09496 |
| Heavy Atoms | 17 |
| Complexity | 600.3878 |
Chemical Identifiers
| CAS Number | 501913-38-8 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=C(C=C2)C#N)C)C=O |
Product Overview
4-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzonitrile (CAS 501913-38-8), with molecular formula C14H12N2O and molecular weight 224.09 g/mol. IUPAC: 4-(3-formyl-2,5-dimethylpyrrol-1-yl)benzonitrile.
Chemical Property Profile of 4-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzonitrile
Property Insights of 4-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzonitrile
The XLogP value of 2.77832 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzonitrile. With a topological polar surface area (TPSA) of 45.79 Ų, 4-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-formyl-2,5-dimethyl-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 4-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzonitrile?
The CAS number of 4-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzonitrile is 501913-38-8.
What is the molecular formula of 4-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzonitrile?
The molecular formula of 4-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzonitrile is C14H12N2O.
What is the molecular weight of 4-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzonitrile?
The molecular weight of 4-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzonitrile is 224.09 g/mol.
Where can I buy 4-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzonitrile?
You can request a quote for 4-(3-formyl-2,5-dimethyl-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 4-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.