![3-[1-(2-Fluoro-phenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-3-oxo-propionitrile structure](/static/products/3270/327084-91-3.webp)
3-[1-(2-Fluoro-phenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-3-oxo-propionitrile
TL;DR: 3-[1-(2-Fluoro-phenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-3-oxo-propionitrile (CAS 327084-91-3) is a chemical compound with molecular formula C15H13FN2O and molecular weight 256.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-3-oxopropanenitrile
Also Known As: 3-[1-(2-Fluoro-phenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-3-oxo-propionitrile, 3-(1-(2-Fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)-3-oxopropanenitrile, 3-[1-(2-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-3-oxopropanenitrile, 3-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-3-oxopropanenitrile, 3-[1-(2-Fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-3-oxopropanenitrile
| Molecular Formula | C15H13FN2O |
|---|---|
| Molecular Weight | 256.10 g/mol |
| LogP | 3.32962 |
| Topological Polar Surface Area | 45.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 256.1012 |
| Heavy Atoms | 19 |
| Complexity | 679.9394 |
Chemical Identifiers
| CAS Number | 327084-91-3 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=CC=C2F)C)C(=O)CC#N |
Product Overview
3-[1-(2-Fluoro-phenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-3-oxo-propionitrile (CAS 327084-91-3), with molecular formula C15H13FN2O and molecular weight 256.10 g/mol. IUPAC: 3-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-3-oxopropanenitrile.
Chemical Property Profile of 3-[1-(2-Fluoro-phenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-3-oxo-propionitrile
Property Insights of 3-[1-(2-Fluoro-phenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-3-oxo-propionitrile
The XLogP value of 3.32962 indicates that 3-[1-(2-Fluoro-phenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-3-oxo-propionitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.79 Ų, 3-[1-(2-Fluoro-phenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-3-oxo-propionitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[1-(2-Fluoro-phenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-3-oxo-propionitrile 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-[1-(2-Fluoro-phenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-3-oxo-propionitrile?
The CAS number of 3-[1-(2-Fluoro-phenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-3-oxo-propionitrile is 327084-91-3.
What is the molecular formula of 3-[1-(2-Fluoro-phenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-3-oxo-propionitrile?
The molecular formula of 3-[1-(2-Fluoro-phenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-3-oxo-propionitrile is C15H13FN2O.
What is the molecular weight of 3-[1-(2-Fluoro-phenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-3-oxo-propionitrile?
The molecular weight of 3-[1-(2-Fluoro-phenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-3-oxo-propionitrile is 256.10 g/mol.
Where can I buy 3-[1-(2-Fluoro-phenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-3-oxo-propionitrile?
You can request a quote for 3-[1-(2-Fluoro-phenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-3-oxo-propionitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[1-(2-Fluoro-phenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-3-oxo-propionitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[1-(2-Fluoro-phenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-3-oxo-propionitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.