![8-ethoxy-1,3-dimethyl-2-(2-oxo-2-phenylethyl)cyclohepta[c]pyrrol-4(2H)-one structure](/static/products/780/780779-11-5.png)
8-ethoxy-1,3-dimethyl-2-(2-oxo-2-phenylethyl)cyclohepta[c]pyrrol-4(2H)-one
TL;DR: 8-ethoxy-1,3-dimethyl-2-(2-oxo-2-phenylethyl)cyclohepta[c]pyrrol-4(2H)-one (CAS 780779-11-5) is a chemical compound with molecular formula C21H21NO3 and molecular weight 335.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethoxy-1,3-dimethyl-2-phenacylcyclohepta[c]pyrrol-8-one
Also Known As: ChemDiv2_001954, BAS 07248949, BRD-K56181324-001-07-0, 8-ethoxy-1,3-dimethyl-2-(2-oxo-2-phenylethyl)cyclohepta[c]pyrrol-4(2H)-one, 4-ethoxy-1,3-dimethyl-2-phenacylcyclohepta[c]pyrrol-8-one
| Molecular Formula | C21H21NO3 |
|---|---|
| Molecular Weight | 335.15 g/mol |
| LogP | 3.89994 |
| Topological Polar Surface Area | 48.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.15213 |
| Heavy Atoms | 25 |
| Complexity | 987.4341 |
Chemical Identifiers
| CAS Number | 780779-11-5 |
|---|---|
| SMILES | CCOC1=CC=CC(=O)C2=C(N(C(=C12)C)CC(=O)C3=CC=CC=C3)C |
Product Overview
8-ethoxy-1,3-dimethyl-2-(2-oxo-2-phenylethyl)cyclohepta[c]pyrrol-4(2H)-one (CAS 780779-11-5), with molecular formula C21H21NO3 and molecular weight 335.15 g/mol. IUPAC: 4-ethoxy-1,3-dimethyl-2-phenacylcyclohepta[c]pyrrol-8-one.
Chemical Property Profile of 8-ethoxy-1,3-dimethyl-2-(2-oxo-2-phenylethyl)cyclohepta[c]pyrrol-4(2H)-one
Property Insights of 8-ethoxy-1,3-dimethyl-2-(2-oxo-2-phenylethyl)cyclohepta[c]pyrrol-4(2H)-one
The XLogP value of 3.89994 indicates that 8-ethoxy-1,3-dimethyl-2-(2-oxo-2-phenylethyl)cyclohepta[c]pyrrol-4(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.3 Ų, 8-ethoxy-1,3-dimethyl-2-(2-oxo-2-phenylethyl)cyclohepta[c]pyrrol-4(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-ethoxy-1,3-dimethyl-2-(2-oxo-2-phenylethyl)cyclohepta[c]pyrrol-4(2H)-one has 0 hydrogen bond donor(s) and 3 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 8-ethoxy-1,3-dimethyl-2-(2-oxo-2-phenylethyl)cyclohepta[c]pyrrol-4(2H)-one?
The CAS number of 8-ethoxy-1,3-dimethyl-2-(2-oxo-2-phenylethyl)cyclohepta[c]pyrrol-4(2H)-one is 780779-11-5.
What is the molecular formula of 8-ethoxy-1,3-dimethyl-2-(2-oxo-2-phenylethyl)cyclohepta[c]pyrrol-4(2H)-one?
The molecular formula of 8-ethoxy-1,3-dimethyl-2-(2-oxo-2-phenylethyl)cyclohepta[c]pyrrol-4(2H)-one is C21H21NO3.
What is the molecular weight of 8-ethoxy-1,3-dimethyl-2-(2-oxo-2-phenylethyl)cyclohepta[c]pyrrol-4(2H)-one?
The molecular weight of 8-ethoxy-1,3-dimethyl-2-(2-oxo-2-phenylethyl)cyclohepta[c]pyrrol-4(2H)-one is 335.15 g/mol.
Where can I buy 8-ethoxy-1,3-dimethyl-2-(2-oxo-2-phenylethyl)cyclohepta[c]pyrrol-4(2H)-one?
You can request a quote for 8-ethoxy-1,3-dimethyl-2-(2-oxo-2-phenylethyl)cyclohepta[c]pyrrol-4(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-ethoxy-1,3-dimethyl-2-(2-oxo-2-phenylethyl)cyclohepta[c]pyrrol-4(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 8-ethoxy-1,3-dimethyl-2-(2-oxo-2-phenylethyl)cyclohepta[c]pyrrol-4(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.