1-(4-acetyl-1,2,5-trimethyl-1H-pyrrol-3-yl)ethan-1-one
TL;DR: 1-(4-acetyl-1,2,5-trimethyl-1H-pyrrol-3-yl)ethan-1-one (CAS 55341-97-4) is a chemical compound with molecular formula C11H15NO2 and molecular weight 193.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-acetyl-1,2,5-trimethylpyrrol-3-yl)ethanone
Also Known As: 1,2,5-trimethyl-3,4-diacetylpyrrole, 3,4-diacetyl-1,2,5-trimethylpyrrole, 1,2,5-Trimethyl-3,4-diacetyl-1H-pyrrole, J1.512.836D, 1-(4-acetyl-1,2,5-trimethyl-1H-pyrrol-3-yl)ethan-1-one
| Molecular Formula | C11H15NO2 |
|---|---|
| Molecular Weight | 193.11 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 39.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 193.11028 |
| Heavy Atoms | 14 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 55341-97-4 |
|---|---|
| SMILES | CC1=C(C(=C(N1C)C)C(=O)C)C(=O)C |
| InChIKey | GFSFNFOZTKTTEK-UHFFFAOYSA-N |
Product Overview
1-(4-acetyl-1,2,5-trimethyl-1H-pyrrol-3-yl)ethan-1-one (CAS 55341-97-4), with molecular formula C11H15NO2 and molecular weight 193.11 g/mol. IUPAC: 1-(4-acetyl-1,2,5-trimethylpyrrol-3-yl)ethanone.
Chemical Property Profile of 1-(4-acetyl-1,2,5-trimethyl-1H-pyrrol-3-yl)ethan-1-one
Property Insights of 1-(4-acetyl-1,2,5-trimethyl-1H-pyrrol-3-yl)ethan-1-one
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-acetyl-1,2,5-trimethyl-1H-pyrrol-3-yl)ethan-1-one. With a topological polar surface area (TPSA) of 39.1 Ų, 1-(4-acetyl-1,2,5-trimethyl-1H-pyrrol-3-yl)ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-acetyl-1,2,5-trimethyl-1H-pyrrol-3-yl)ethan-1-one 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 1-(4-acetyl-1,2,5-trimethyl-1H-pyrrol-3-yl)ethan-1-one?
The CAS number of 1-(4-acetyl-1,2,5-trimethyl-1H-pyrrol-3-yl)ethan-1-one is 55341-97-4.
What is the molecular formula of 1-(4-acetyl-1,2,5-trimethyl-1H-pyrrol-3-yl)ethan-1-one?
The molecular formula of 1-(4-acetyl-1,2,5-trimethyl-1H-pyrrol-3-yl)ethan-1-one is C11H15NO2.
What is the molecular weight of 1-(4-acetyl-1,2,5-trimethyl-1H-pyrrol-3-yl)ethan-1-one?
The molecular weight of 1-(4-acetyl-1,2,5-trimethyl-1H-pyrrol-3-yl)ethan-1-one is 193.11 g/mol.
Where can I buy 1-(4-acetyl-1,2,5-trimethyl-1H-pyrrol-3-yl)ethan-1-one?
You can request a quote for 1-(4-acetyl-1,2,5-trimethyl-1H-pyrrol-3-yl)ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-acetyl-1,2,5-trimethyl-1H-pyrrol-3-yl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-acetyl-1,2,5-trimethyl-1H-pyrrol-3-yl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.