3-Pyrrolin-2-one, 4-ethoxy-1-(2-propynyl)-
TL;DR: 3-Pyrrolin-2-one, 4-ethoxy-1-(2-propynyl)- (CAS 671183-67-8) is a chemical compound with molecular formula C9H11NO2 and molecular weight 165.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethoxy-1-prop-2-ynyl-2H-pyrrol-5-one
Also Known As: 3-ethoxy-1-prop-2-ynyl-2H-pyrrol-5-one, 3-Pyrrolin-2-one, 4-ethoxy-1-(2-propynyl)-, 4-Ethoxy-1-(prop-2-yn-1-yl)-1,5-dihydro-2H-pyrrol-2-one, 2H-Pyrrol-2-one,4-ethoxy-1,5-dihydro-1-(2-propynyl)-(9CI), 2H-PYRROL-2-ONE, 4-ETHOXY-1,5-DIHYDRO-1-(2-PROPYNYL)-
| Molecular Formula | C9H11NO2 |
|---|---|
| Molecular Weight | 165.08 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 165.07898 |
| Heavy Atoms | 12 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 671183-67-8 |
|---|---|
| SMILES | CCOC1=CC(=O)N(C1)CC#C |
| InChIKey | BUSWJPLDYFECRI-UHFFFAOYSA-N |
Product Overview
3-Pyrrolin-2-one, 4-ethoxy-1-(2-propynyl)- (CAS 671183-67-8), with molecular formula C9H11NO2 and molecular weight 165.08 g/mol. IUPAC: 3-ethoxy-1-prop-2-ynyl-2H-pyrrol-5-one.
Chemical Property Profile of 3-Pyrrolin-2-one, 4-ethoxy-1-(2-propynyl)-
Property Insights of 3-Pyrrolin-2-one, 4-ethoxy-1-(2-propynyl)-
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pyrrolin-2-one, 4-ethoxy-1-(2-propynyl)-. With a topological polar surface area (TPSA) of 29.5 Ų, 3-Pyrrolin-2-one, 4-ethoxy-1-(2-propynyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pyrrolin-2-one, 4-ethoxy-1-(2-propynyl)- has 0 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 3-Pyrrolin-2-one, 4-ethoxy-1-(2-propynyl)-?
The CAS number of 3-Pyrrolin-2-one, 4-ethoxy-1-(2-propynyl)- is 671183-67-8.
What is the molecular formula of 3-Pyrrolin-2-one, 4-ethoxy-1-(2-propynyl)-?
The molecular formula of 3-Pyrrolin-2-one, 4-ethoxy-1-(2-propynyl)- is C9H11NO2.
What is the molecular weight of 3-Pyrrolin-2-one, 4-ethoxy-1-(2-propynyl)-?
The molecular weight of 3-Pyrrolin-2-one, 4-ethoxy-1-(2-propynyl)- is 165.08 g/mol.
Where can I buy 3-Pyrrolin-2-one, 4-ethoxy-1-(2-propynyl)-?
You can request a quote for 3-Pyrrolin-2-one, 4-ethoxy-1-(2-propynyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pyrrolin-2-one, 4-ethoxy-1-(2-propynyl)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyrrolin-2-one, 4-ethoxy-1-(2-propynyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.