![3-{1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-3-oxopropanenitrile structure](/static/products/5651/565166-94-1.webp)
3-{1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-3-oxopropanenitrile
TL;DR: 3-{1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-3-oxopropanenitrile (CAS 565166-94-1) is a chemical compound with molecular formula C16H14F2N2O2 and molecular weight 304.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[1-[4-(difluoromethoxy)phenyl]-2,5-dimethylpyrrol-3-yl]-3-oxopropanenitrile
Also Known As: 3-{1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-3-oxopropanenitrile, 3-[1-[4-(difluoromethoxy)phenyl]-2,5-dimethylpyrrol-3-yl]-3-oxopropanenitrile, 3-[1-(4-Difluoromethoxy-phenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-3-oxo-propionitrile, 1-[4-(Difluoromethoxy)phenyl]-2,5-dimethyl-I(2)-oxo-1H-pyrrole-3-propanenitrile, 3-(1-[4-(DIFLUOROMETHOXY)PHENYL]-2,5-DIMETHYL-1H-PYRROL-3-YL)-3-OXOPROPANENITRILE
| Molecular Formula | C16H14F2N2O2 |
|---|---|
| Molecular Weight | 304.10 g/mol |
| LogP | 3.79192 |
| Topological Polar Surface Area | 55.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 304.10233 |
| Heavy Atoms | 22 |
| Complexity | 727.8395 |
Chemical Identifiers
| CAS Number | 565166-94-1 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=C(C=C2)OC(F)F)C)C(=O)CC#N |
Product Overview
3-{1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-3-oxopropanenitrile (CAS 565166-94-1), with molecular formula C16H14F2N2O2 and molecular weight 304.10 g/mol. IUPAC: 3-[1-[4-(difluoromethoxy)phenyl]-2,5-dimethylpyrrol-3-yl]-3-oxopropanenitrile.
Chemical Property Profile of 3-{1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-3-oxopropanenitrile
Property Insights of 3-{1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-3-oxopropanenitrile
The XLogP value of 3.79192 indicates that 3-{1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-3-oxopropanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.02 Ų, 3-{1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-3-oxopropanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-{1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-3-oxopropanenitrile has 0 hydrogen bond donor(s) and 3 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-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-3-oxopropanenitrile?
The CAS number of 3-{1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-3-oxopropanenitrile is 565166-94-1.
What is the molecular formula of 3-{1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-3-oxopropanenitrile?
The molecular formula of 3-{1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-3-oxopropanenitrile is C16H14F2N2O2.
What is the molecular weight of 3-{1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-3-oxopropanenitrile?
The molecular weight of 3-{1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-3-oxopropanenitrile is 304.10 g/mol.
Where can I buy 3-{1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-3-oxopropanenitrile?
You can request a quote for 3-{1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-3-oxopropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-3-oxopropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-{1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-3-oxopropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.