1-(1-(2-Hydroxyethyl)-2,5-dimethylpyrrol-3-yl)ethanone
TL;DR: 1-(1-(2-Hydroxyethyl)-2,5-dimethylpyrrol-3-yl)ethanone (CAS 13159-90-5) is a chemical compound with molecular formula C10H15NO2 and molecular weight 181.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-(2-hydroxyethyl)-2,5-dimethylpyrrol-3-yl]ethanone
Also Known As: KST-1B0183, 1-(1-(2-Hydroxyethyl)-2,5-dimethylpyrrol-3-yl)ethanone, 9,10-epoxy-heptadeca-1-en-4,6-diyn-3-ol, 1-[1-(2-hydroxyethyl)-2,5-dimethylpyrrol-3-yl]ethanone, 1-[1-(2-hydroxyethyl)-2,5-dimethyl-1h-pyrrol-3-yl]ethanone
| Molecular Formula | C10H15NO2 |
|---|---|
| Molecular Weight | 181.11 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 42.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 181.11028 |
| Heavy Atoms | 13 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 13159-90-5 |
|---|---|
| SMILES | CC1=CC(=C(N1CCO)C)C(=O)C |
| InChIKey | FCQRZPCZFIFSJI-UHFFFAOYSA-N |
Product Overview
1-(1-(2-Hydroxyethyl)-2,5-dimethylpyrrol-3-yl)ethanone (CAS 13159-90-5), with molecular formula C10H15NO2 and molecular weight 181.11 g/mol. IUPAC: 1-[1-(2-hydroxyethyl)-2,5-dimethylpyrrol-3-yl]ethanone.
Chemical Property Profile of 1-(1-(2-Hydroxyethyl)-2,5-dimethylpyrrol-3-yl)ethanone
Property Insights of 1-(1-(2-Hydroxyethyl)-2,5-dimethylpyrrol-3-yl)ethanone
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1-(2-Hydroxyethyl)-2,5-dimethylpyrrol-3-yl)ethanone. With a topological polar surface area (TPSA) of 42.2 Ų, 1-(1-(2-Hydroxyethyl)-2,5-dimethylpyrrol-3-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-(2-Hydroxyethyl)-2,5-dimethylpyrrol-3-yl)ethanone has 1 hydrogen bond donor(s) and 2 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-(1-(2-Hydroxyethyl)-2,5-dimethylpyrrol-3-yl)ethanone?
The CAS number of 1-(1-(2-Hydroxyethyl)-2,5-dimethylpyrrol-3-yl)ethanone is 13159-90-5.
What is the molecular formula of 1-(1-(2-Hydroxyethyl)-2,5-dimethylpyrrol-3-yl)ethanone?
The molecular formula of 1-(1-(2-Hydroxyethyl)-2,5-dimethylpyrrol-3-yl)ethanone is C10H15NO2.
What is the molecular weight of 1-(1-(2-Hydroxyethyl)-2,5-dimethylpyrrol-3-yl)ethanone?
The molecular weight of 1-(1-(2-Hydroxyethyl)-2,5-dimethylpyrrol-3-yl)ethanone is 181.11 g/mol.
Where can I buy 1-(1-(2-Hydroxyethyl)-2,5-dimethylpyrrol-3-yl)ethanone?
You can request a quote for 1-(1-(2-Hydroxyethyl)-2,5-dimethylpyrrol-3-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-(1-(2-Hydroxyethyl)-2,5-dimethylpyrrol-3-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-(2-Hydroxyethyl)-2,5-dimethylpyrrol-3-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.