![3-{1-[(2-chlorophenyl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-3-oxopropanenitrile structure](/static/products/5685/568574-79-8.webp)
3-{1-[(2-chlorophenyl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-3-oxopropanenitrile
TL;DR: 3-{1-[(2-chlorophenyl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-3-oxopropanenitrile (CAS 568574-79-8) is a chemical compound with molecular formula C16H15ClN2O and molecular weight 286.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-3-oxopropanenitrile
Also Known As: 3-{1-[(2-chlorophenyl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-3-oxopropanenitrile, 3-[1-(2-Chloro-benzyl)-2,5-dimethyl-1H-pyrrol-3-yl]-3-oxo-propionitrile, 3-[1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-3-oxopropanenitrile, 3-[1-[(2-chlorophenyl)methyl]-2,5-dimethyl-pyrrol-3-yl]-3-oxo-propanenitrile
| Molecular Formula | C16H15ClN2O |
|---|---|
| Molecular Weight | 286.09 g/mol |
| LogP | 3.90302 |
| Topological Polar Surface Area | 45.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 286.08728 |
| Heavy Atoms | 20 |
| Complexity | 694.9878 |
Chemical Identifiers
| CAS Number | 568574-79-8 |
|---|---|
| SMILES | CC1=CC(=C(N1CC2=CC=CC=C2Cl)C)C(=O)CC#N |
Product Overview
3-{1-[(2-chlorophenyl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-3-oxopropanenitrile (CAS 568574-79-8), with molecular formula C16H15ClN2O and molecular weight 286.09 g/mol. IUPAC: 3-[1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-3-oxopropanenitrile.
Chemical Property Profile of 3-{1-[(2-chlorophenyl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-3-oxopropanenitrile
Property Insights of 3-{1-[(2-chlorophenyl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-3-oxopropanenitrile
The XLogP value of 3.90302 indicates that 3-{1-[(2-chlorophenyl)methyl]-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 45.79 Ų, 3-{1-[(2-chlorophenyl)methyl]-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-[(2-chlorophenyl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-3-oxopropanenitrile 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-chlorophenyl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-3-oxopropanenitrile?
The CAS number of 3-{1-[(2-chlorophenyl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-3-oxopropanenitrile is 568574-79-8.
What is the molecular formula of 3-{1-[(2-chlorophenyl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-3-oxopropanenitrile?
The molecular formula of 3-{1-[(2-chlorophenyl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-3-oxopropanenitrile is C16H15ClN2O.
What is the molecular weight of 3-{1-[(2-chlorophenyl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-3-oxopropanenitrile?
The molecular weight of 3-{1-[(2-chlorophenyl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-3-oxopropanenitrile is 286.09 g/mol.
Where can I buy 3-{1-[(2-chlorophenyl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-3-oxopropanenitrile?
You can request a quote for 3-{1-[(2-chlorophenyl)methyl]-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-[(2-chlorophenyl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-3-oxopropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-{1-[(2-chlorophenyl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-3-oxopropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.