1-(3,5-Dimethyl-1H-pyrrol-2-yl)ethanone
TL;DR: 1-(3,5-Dimethyl-1H-pyrrol-2-yl)ethanone (CAS 759398-65-7) is a chemical compound with molecular formula C8H11NO and molecular weight 137.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,5-dimethyl-1H-pyrrol-2-yl)ethanone
Also Known As: 1-(3,5-dimethyl-1H-pyrrol-2-yl)ethanone, 1-(3,5-Dimethyl-1H-Pyrrol-2-Yl)Ethan-1-One, 2-acetyl-3,5-dimethylpyrrole, Diethyl(3-pyridyl)borane, 1- ETHAN-1-ONE
| Molecular Formula | C8H11NO |
|---|---|
| Molecular Weight | 137.08 g/mol |
| LogP | 1.83414 |
| Topological Polar Surface Area | 32.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 137.08406 |
| Heavy Atoms | 10 |
| Complexity | 260.22134 |
Chemical Identifiers
| CAS Number | 759398-65-7 |
|---|---|
| SMILES | CC1=CC(=C(N1)C(=O)C)C |
Product Overview
1-(3,5-Dimethyl-1H-pyrrol-2-yl)ethanone (CAS 759398-65-7), with molecular formula C8H11NO and molecular weight 137.08 g/mol. IUPAC: 1-(3,5-dimethyl-1H-pyrrol-2-yl)ethanone.
Chemical Property Profile of 1-(3,5-Dimethyl-1H-pyrrol-2-yl)ethanone
Property Insights of 1-(3,5-Dimethyl-1H-pyrrol-2-yl)ethanone
The XLogP value of 1.83414 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,5-Dimethyl-1H-pyrrol-2-yl)ethanone. With a topological polar surface area (TPSA) of 32.86 Ų, 1-(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-(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-(3,5-Dimethyl-1H-pyrrol-2-yl)ethanone?
The CAS number of 1-(3,5-Dimethyl-1H-pyrrol-2-yl)ethanone is 759398-65-7.
What is the molecular formula of 1-(3,5-Dimethyl-1H-pyrrol-2-yl)ethanone?
The molecular formula of 1-(3,5-Dimethyl-1H-pyrrol-2-yl)ethanone is C8H11NO.
What is the molecular weight of 1-(3,5-Dimethyl-1H-pyrrol-2-yl)ethanone?
The molecular weight of 1-(3,5-Dimethyl-1H-pyrrol-2-yl)ethanone is 137.08 g/mol.
Where can I buy 1-(3,5-Dimethyl-1H-pyrrol-2-yl)ethanone?
You can request a quote for 1-(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-(3,5-Dimethyl-1H-pyrrol-2-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,5-Dimethyl-1H-pyrrol-2-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.