N-(4-Acetylphenyl)-2,5-dimethylpyrrole
TL;DR: N-(4-Acetylphenyl)-2,5-dimethylpyrrole (CAS 83935-45-9) is a chemical compound with molecular formula C14H15NO and molecular weight 213.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(2,5-dimethylpyrrol-1-yl)phenyl]ethanone
Also Known As: Arfalasin, N-(4-Acetylphenyl)-2,5-dimethylpyrrole, 1-(4-(2,5-Dimethyl-1H-pyrrol-1-yl)phenyl)ethanone, 1-[4-(2,5-dimethylpyrrol-1-yl)phenyl]ethanone, 1-[4-(2,5-Dimethyl-1H-pyrrol-1-yl)phenyl]ethanone
| Molecular Formula | C14H15NO |
|---|---|
| Molecular Weight | 213.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 22.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 213.11537 |
| Heavy Atoms | 16 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 83935-45-9 |
|---|---|
| SMILES | CC1=CC=C(N1C2=CC=C(C=C2)C(=O)C)C |
| InChIKey | QYTWQHUEXYLNLA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(4-Acetylphenyl)-2,5-dimethylpyrrole (CAS 83935-45-9), with molecular formula C14H15NO and molecular weight 213.12 g/mol. IUPAC: 1-[4-(2,5-dimethylpyrrol-1-yl)phenyl]ethanone.
Chemical Property Profile of N-(4-Acetylphenyl)-2,5-dimethylpyrrole
Property Insights of N-(4-Acetylphenyl)-2,5-dimethylpyrrole
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-Acetylphenyl)-2,5-dimethylpyrrole. With a topological polar surface area (TPSA) of 22.0 Ų, N-(4-Acetylphenyl)-2,5-dimethylpyrrole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-Acetylphenyl)-2,5-dimethylpyrrole has 0 hydrogen bond donor(s) and 1 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 N-(4-Acetylphenyl)-2,5-dimethylpyrrole?
The CAS number of N-(4-Acetylphenyl)-2,5-dimethylpyrrole is 83935-45-9.
What is the molecular formula of N-(4-Acetylphenyl)-2,5-dimethylpyrrole?
The molecular formula of N-(4-Acetylphenyl)-2,5-dimethylpyrrole is C14H15NO.
What is the molecular weight of N-(4-Acetylphenyl)-2,5-dimethylpyrrole?
The molecular weight of N-(4-Acetylphenyl)-2,5-dimethylpyrrole is 213.12 g/mol.
Where can I buy N-(4-Acetylphenyl)-2,5-dimethylpyrrole?
You can request a quote for N-(4-Acetylphenyl)-2,5-dimethylpyrrole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-Acetylphenyl)-2,5-dimethylpyrrole?
Yes, KEHONG BIO provides custom synthesis services for N-(4-Acetylphenyl)-2,5-dimethylpyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.