1-(5-ethyl-2,4-dimethyl-1H-pyrrol-3-yl)ethan-1-one
TL;DR: 1-(5-ethyl-2,4-dimethyl-1H-pyrrol-3-yl)ethan-1-one (CAS 755693-98-2) is a chemical compound with molecular formula C10H15NO and molecular weight 165.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-ethyl-2,4-dimethyl-1H-pyrrol-3-yl)ethanone
Also Known As: 2,4-dimethyl-3-acetyl-5-ethylpyrrole, 1-(5-ethyl-2,4-dimethyl-1H-pyrrol-3-yl)ethan-1-one, 1-(5-ethyl-2,4-dimethyl-1H-pyrrol-3-yl)ethanone, 2,4-dimethyl-3-acetyl-5-ethyl-pyrrole, BAS 00225334
| Molecular Formula | C10H15NO |
|---|---|
| Molecular Weight | 165.12 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 32.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 165.11537 |
| Heavy Atoms | 12 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 755693-98-2 |
|---|---|
| SMILES | CCC1=C(C(=C(N1)C)C(=O)C)C |
| InChIKey | USXUHJDVFUTRSC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(5-ethyl-2,4-dimethyl-1H-pyrrol-3-yl)ethan-1-one (CAS 755693-98-2), with molecular formula C10H15NO and molecular weight 165.12 g/mol. IUPAC: 1-(5-ethyl-2,4-dimethyl-1H-pyrrol-3-yl)ethanone.
Chemical Property Profile of 1-(5-ethyl-2,4-dimethyl-1H-pyrrol-3-yl)ethan-1-one
Property Insights of 1-(5-ethyl-2,4-dimethyl-1H-pyrrol-3-yl)ethan-1-one
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(5-ethyl-2,4-dimethyl-1H-pyrrol-3-yl)ethan-1-one. With a topological polar surface area (TPSA) of 32.9 Ų, 1-(5-ethyl-2,4-dimethyl-1H-pyrrol-3-yl)ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(5-ethyl-2,4-dimethyl-1H-pyrrol-3-yl)ethan-1-one has 1 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 1-(5-ethyl-2,4-dimethyl-1H-pyrrol-3-yl)ethan-1-one?
The CAS number of 1-(5-ethyl-2,4-dimethyl-1H-pyrrol-3-yl)ethan-1-one is 755693-98-2.
What is the molecular formula of 1-(5-ethyl-2,4-dimethyl-1H-pyrrol-3-yl)ethan-1-one?
The molecular formula of 1-(5-ethyl-2,4-dimethyl-1H-pyrrol-3-yl)ethan-1-one is C10H15NO.
What is the molecular weight of 1-(5-ethyl-2,4-dimethyl-1H-pyrrol-3-yl)ethan-1-one?
The molecular weight of 1-(5-ethyl-2,4-dimethyl-1H-pyrrol-3-yl)ethan-1-one is 165.12 g/mol.
Where can I buy 1-(5-ethyl-2,4-dimethyl-1H-pyrrol-3-yl)ethan-1-one?
You can request a quote for 1-(5-ethyl-2,4-dimethyl-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-(5-ethyl-2,4-dimethyl-1H-pyrrol-3-yl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-ethyl-2,4-dimethyl-1H-pyrrol-3-yl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.