Ethanone, 1-(4-amino-2-methyl-5-(3-methylphenyl)-1H-pyrrol-3-YL)-
TL;DR: Ethanone, 1-(4-amino-2-methyl-5-(3-methylphenyl)-1H-pyrrol-3-YL)- (CAS 56463-70-8) is a chemical compound with molecular formula C14H16N2O and molecular weight 228.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-amino-2-methyl-5-(3-methylphenyl)-1H-pyrrol-3-yl]ethanone
Also Known As: 5-22-13-00090 (Beilstein Handbook Reference), 1-[4-amino-2-methyl-5-(3-methylphenyl)-1H-pyrrol-3-yl]ethanone, 4-Acetyl-3-amino-5-methyl-2-(m-tolyl)pyrrole, 4-Acetyl-3-amino-5-methyl-2-(m-tolyl)-pyrrole, ETHANONE, 1-(4-AMINO-2-METHYL-5-(3-METHYLPHENYL)-1H-PYRROL-3-YL)-
| Molecular Formula | C14H16N2O |
|---|---|
| Molecular Weight | 228.13 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.12627 |
| Heavy Atoms | 17 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 56463-70-8 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C2=C(C(=C(N2)C)C(=O)C)N |
| InChIKey | ZXSFNRUVYVQVDB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethanone, 1-(4-amino-2-methyl-5-(3-methylphenyl)-1H-pyrrol-3-YL)- (CAS 56463-70-8), with molecular formula C14H16N2O and molecular weight 228.13 g/mol. IUPAC: 1-[4-amino-2-methyl-5-(3-methylphenyl)-1H-pyrrol-3-yl]ethanone.
Chemical Property Profile of Ethanone, 1-(4-amino-2-methyl-5-(3-methylphenyl)-1H-pyrrol-3-YL)-
Property Insights of Ethanone, 1-(4-amino-2-methyl-5-(3-methylphenyl)-1H-pyrrol-3-YL)-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanone, 1-(4-amino-2-methyl-5-(3-methylphenyl)-1H-pyrrol-3-YL)-. With a topological polar surface area (TPSA) of 58.9 Ų, Ethanone, 1-(4-amino-2-methyl-5-(3-methylphenyl)-1H-pyrrol-3-YL)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanone, 1-(4-amino-2-methyl-5-(3-methylphenyl)-1H-pyrrol-3-YL)- has 2 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 Ethanone, 1-(4-amino-2-methyl-5-(3-methylphenyl)-1H-pyrrol-3-YL)-?
The CAS number of Ethanone, 1-(4-amino-2-methyl-5-(3-methylphenyl)-1H-pyrrol-3-YL)- is 56463-70-8.
What is the molecular formula of Ethanone, 1-(4-amino-2-methyl-5-(3-methylphenyl)-1H-pyrrol-3-YL)-?
The molecular formula of Ethanone, 1-(4-amino-2-methyl-5-(3-methylphenyl)-1H-pyrrol-3-YL)- is C14H16N2O.
What is the molecular weight of Ethanone, 1-(4-amino-2-methyl-5-(3-methylphenyl)-1H-pyrrol-3-YL)-?
The molecular weight of Ethanone, 1-(4-amino-2-methyl-5-(3-methylphenyl)-1H-pyrrol-3-YL)- is 228.13 g/mol.
Where can I buy Ethanone, 1-(4-amino-2-methyl-5-(3-methylphenyl)-1H-pyrrol-3-YL)-?
You can request a quote for Ethanone, 1-(4-amino-2-methyl-5-(3-methylphenyl)-1H-pyrrol-3-YL)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanone, 1-(4-amino-2-methyl-5-(3-methylphenyl)-1H-pyrrol-3-YL)-?
Yes, KEHONG BIO provides custom synthesis services for Ethanone, 1-(4-amino-2-methyl-5-(3-methylphenyl)-1H-pyrrol-3-YL)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.