3-Acetyl-2,4,5-trimethylpyrrole
TL;DR: 3-Acetyl-2,4,5-trimethylpyrrole (CAS 19005-95-9) is a chemical compound with molecular formula C9H13NO and molecular weight 151.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,4,5-trimethyl-1H-pyrrol-3-yl)ethanone
Also Known As: 3-acetyl-2,4,5-trimethylpyrrole, 3-Acetyl-2,4,5-trimethyl-pyrrole, 1-(2,4,5-Trimethyl-1H-pyrrol-3-yl)ethanone, Methyl 2,4,5-trimethylpyrrol-3-yl ketone, 1-(2,4,5-trimethyl-1H-pyrrol-3-yl)ethan-1-one
| Molecular Formula | C9H13NO |
|---|---|
| Molecular Weight | 151.10 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 32.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 151.09972 |
| Heavy Atoms | 11 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 19005-95-9 |
|---|---|
| SMILES | CC1=C(NC(=C1C(=O)C)C)C |
| InChIKey | XVBRWTVSTZYJIB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Acetyl-2,4,5-trimethylpyrrole (CAS 19005-95-9), with molecular formula C9H13NO and molecular weight 151.10 g/mol. IUPAC: 1-(2,4,5-trimethyl-1H-pyrrol-3-yl)ethanone.
Chemical Property Profile of 3-Acetyl-2,4,5-trimethylpyrrole
Property Insights of 3-Acetyl-2,4,5-trimethylpyrrole
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Acetyl-2,4,5-trimethylpyrrole. With a topological polar surface area (TPSA) of 32.9 Ų, 3-Acetyl-2,4,5-trimethylpyrrole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Acetyl-2,4,5-trimethylpyrrole 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 3-Acetyl-2,4,5-trimethylpyrrole?
The CAS number of 3-Acetyl-2,4,5-trimethylpyrrole is 19005-95-9.
What is the molecular formula of 3-Acetyl-2,4,5-trimethylpyrrole?
The molecular formula of 3-Acetyl-2,4,5-trimethylpyrrole is C9H13NO.
What is the molecular weight of 3-Acetyl-2,4,5-trimethylpyrrole?
The molecular weight of 3-Acetyl-2,4,5-trimethylpyrrole is 151.10 g/mol.
Where can I buy 3-Acetyl-2,4,5-trimethylpyrrole?
You can request a quote for 3-Acetyl-2,4,5-trimethylpyrrole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Acetyl-2,4,5-trimethylpyrrole?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetyl-2,4,5-trimethylpyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.