3,4,5-Trimethyl-2-acetylpyrrole
TL;DR: 3,4,5-Trimethyl-2-acetylpyrrole (CAS 790148-76-4) 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-(3,4,5-trimethyl-1H-pyrrol-2-yl)ethanone
Also Known As: 3,4,5-trimethyl-2-acetylpyrrole, 1-(3,4,5-trimethyl-1H-pyrrol-2-yl)ethanone, ETHANOL, 1-(3,4,5-TRIMETHYL-2H-PYRROL-2-YLIDENE)-, Ethanol, 1-(3,4,5-trimethyl-2H-pyrrol-2-ylidene)- (9CI)
| Molecular Formula | C9H13NO |
|---|---|
| Molecular Weight | 151.10 g/mol |
| LogP | 2.14256 |
| Topological Polar Surface Area | 32.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 151.09972 |
| Heavy Atoms | 11 |
| Complexity | 296.75653 |
Chemical Identifiers
| CAS Number | 790148-76-4 |
|---|---|
| SMILES | CC1=C(NC(=C1C)C(=O)C)C |
Product Overview
3,4,5-Trimethyl-2-acetylpyrrole (CAS 790148-76-4), with molecular formula C9H13NO and molecular weight 151.10 g/mol. IUPAC: 1-(3,4,5-trimethyl-1H-pyrrol-2-yl)ethanone.
Chemical Property Profile of 3,4,5-Trimethyl-2-acetylpyrrole
Property Insights of 3,4,5-Trimethyl-2-acetylpyrrole
The XLogP value of 2.14256 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4,5-Trimethyl-2-acetylpyrrole. With a topological polar surface area (TPSA) of 32.86 Ų, 3,4,5-Trimethyl-2-acetylpyrrole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4,5-Trimethyl-2-acetylpyrrole 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 3,4,5-Trimethyl-2-acetylpyrrole?
The CAS number of 3,4,5-Trimethyl-2-acetylpyrrole is 790148-76-4.
What is the molecular formula of 3,4,5-Trimethyl-2-acetylpyrrole?
The molecular formula of 3,4,5-Trimethyl-2-acetylpyrrole is C9H13NO.
What is the molecular weight of 3,4,5-Trimethyl-2-acetylpyrrole?
The molecular weight of 3,4,5-Trimethyl-2-acetylpyrrole is 151.10 g/mol.
Where can I buy 3,4,5-Trimethyl-2-acetylpyrrole?
You can request a quote for 3,4,5-Trimethyl-2-acetylpyrrole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,5-Trimethyl-2-acetylpyrrole?
Yes, KEHONG BIO provides custom synthesis services for 3,4,5-Trimethyl-2-acetylpyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.