1-(4-Ethyl-3,5-dimethyl-1H-pyrrol-2-yl)ethanone
TL;DR: 1-(4-Ethyl-3,5-dimethyl-1H-pyrrol-2-yl)ethanone (CAS 1500-91-0) 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-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)ethanone
Also Known As: Ethanone,1- -, 2-Acetyl-3,5-dimethyl-4-ethyl-pyrrole, 1-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)ethanone, KETONE, 4-ETHYL-3,5-DIMETHYLPYRROL-2-YL METHYL, 4-Ethyl-3,5-dimethylpyrrol-2-yl methyl ketone
| Molecular Formula | C10H15NO |
|---|---|
| Molecular Weight | 165.12 g/mol |
| LogP | 2.3 |
| 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 | 1500-91-0 |
|---|---|
| SMILES | CCC1=C(NC(=C1C)C(=O)C)C |
| InChIKey | SUAXMKRXTCGJJD-UHFFFAOYSA-N |
Product Overview
1-(4-Ethyl-3,5-dimethyl-1H-pyrrol-2-yl)ethanone (CAS 1500-91-0), with molecular formula C10H15NO and molecular weight 165.12 g/mol. IUPAC: 1-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)ethanone.
Chemical Property Profile of 1-(4-Ethyl-3,5-dimethyl-1H-pyrrol-2-yl)ethanone
Property Insights of 1-(4-Ethyl-3,5-dimethyl-1H-pyrrol-2-yl)ethanone
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Ethyl-3,5-dimethyl-1H-pyrrol-2-yl)ethanone. With a topological polar surface area (TPSA) of 32.9 Ų, 1-(4-Ethyl-3,5-dimethyl-1H-pyrrol-2-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Ethyl-3,5-dimethyl-1H-pyrrol-2-yl)ethanone 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-(4-Ethyl-3,5-dimethyl-1H-pyrrol-2-yl)ethanone?
The CAS number of 1-(4-Ethyl-3,5-dimethyl-1H-pyrrol-2-yl)ethanone is 1500-91-0.
What is the molecular formula of 1-(4-Ethyl-3,5-dimethyl-1H-pyrrol-2-yl)ethanone?
The molecular formula of 1-(4-Ethyl-3,5-dimethyl-1H-pyrrol-2-yl)ethanone is C10H15NO.
What is the molecular weight of 1-(4-Ethyl-3,5-dimethyl-1H-pyrrol-2-yl)ethanone?
The molecular weight of 1-(4-Ethyl-3,5-dimethyl-1H-pyrrol-2-yl)ethanone is 165.12 g/mol.
Where can I buy 1-(4-Ethyl-3,5-dimethyl-1H-pyrrol-2-yl)ethanone?
You can request a quote for 1-(4-Ethyl-3,5-dimethyl-1H-pyrrol-2-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Ethyl-3,5-dimethyl-1H-pyrrol-2-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Ethyl-3,5-dimethyl-1H-pyrrol-2-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.