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8-ethoxy-1,3-dimethyl-2-(3-nitrophenyl)cyclohepta[c]pyrrol-4(2H)-one structure
Fine Chemical

8-ethoxy-1,3-dimethyl-2-(3-nitrophenyl)cyclohepta[c]pyrrol-4(2H)-one

TL;DR: 8-ethoxy-1,3-dimethyl-2-(3-nitrophenyl)cyclohepta[c]pyrrol-4(2H)-one (CAS 714929-62-1) is a chemical compound with molecular formula C19H18N2O4 and molecular weight 338.12665 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

4-ethoxy-1,3-dimethyl-2-(3-nitrophenyl)cyclohepta[c]pyrrol-8-one

Also Known As: 8-ethoxy-1,3-dimethyl-2-(3-nitrophenyl)cyclohepta[c]pyrrol-4(2H)-one, 4-ethoxy-1,3-dimethyl-2-(3-nitrophenyl)cyclohepta[c]pyrrol-8-one, 8-ETHOXY-1,3-DIMETHYL-2-(3-NITROPHENYL)-2H,4H-CYCLOHEPTA[C]PYRROL-4-ONE

CAS Number
714929-62-1
Molecular Formula
C19H18N2O4
Molecular Weight
338.12665 g/mol
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Technical Specifications

Molecular FormulaC19H18N2O4
Molecular Weight338.12665 g/mol
XLogP3.8
Topological Polar Surface Area (TPSA)77.1 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors4
Rotatable Bonds3
Exact Mass338.12665 Da
Heavy Atoms25
Complexity595.0
SMILESCCOC1=CC=CC(=O)C2=C(N(C(=C12)C)C3=CC(=CC=C3)[N+](=O)[O-])C
InChIKeyRVQVLLXHTJGAQF-UHFFFAOYSA-N

Product Description

Applications: 8-ethoxy-1,3-dimethyl-2-(3-nitrophenyl)cyclohepta[c]pyrrol-4(2H)-one is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).

8-ethoxy-1,3-dimethyl-2-(3-nitrophenyl)cyclohepta[c]pyrrol-4(2H)-one is a fine chemical identified by CAS number 714929-62-1 and the molecular formula C19H18N2O4 and a molecular weight of 338.13 g/mol. Synonyms include SR-01000115098-1 and 8-ethoxy-1,3-dimethyl-2-(3-nitrophenyl)cyclohepta[c]pyrrol-4(2H)-one.

Custom synthesis (mg to ton scale), HPLC/NMR/MS analytical support, and complete COA/MSDS documentation are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.

Chemical Property Profile of 8-ethoxy-1,3-dimethyl-2-(3-nitrophenyl)cyclohepta[c]pyrrol-4(2H)-one

XLogP
3.8
TPSA (Topological Polar Surface Area)
77.1
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
4
Rotatable Bonds
3
Heavy Atoms
25
Complexity
595.0
Exact Mass
338.12665
Monoisotopic Mass
338.12665
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 8-ethoxy-1,3-dimethyl-2-(3-nitrophenyl)cyclohepta[c]pyrrol-4(2H)-one

The XLogP value of 3.8 indicates that 8-ethoxy-1,3-dimethyl-2-(3-nitrophenyl)cyclohepta[c]pyrrol-4(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-ethoxy-1,3-dimethyl-2-(3-nitrophenyl)cyclohepta[c]pyrrol-4(2H)-one. Following Lipinski's Rule of Five, 8-ethoxy-1,3-dimethyl-2-(3-nitrophenyl)cyclohepta[c]pyrrol-4(2H)-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of 8-ethoxy-1,3-dimethyl-2-(3-nitrophenyl)cyclohepta[c]pyrrol-4(2H)-one?

The CAS number of 8-ethoxy-1,3-dimethyl-2-(3-nitrophenyl)cyclohepta[c]pyrrol-4(2H)-one is 714929-62-1.

What is the molecular formula of 8-ethoxy-1,3-dimethyl-2-(3-nitrophenyl)cyclohepta[c]pyrrol-4(2H)-one?

The molecular formula of 8-ethoxy-1,3-dimethyl-2-(3-nitrophenyl)cyclohepta[c]pyrrol-4(2H)-one is C19H18N2O4.

What is the molecular weight of 8-ethoxy-1,3-dimethyl-2-(3-nitrophenyl)cyclohepta[c]pyrrol-4(2H)-one?

The molecular weight of 8-ethoxy-1,3-dimethyl-2-(3-nitrophenyl)cyclohepta[c]pyrrol-4(2H)-one is 338.12665 g/mol.

What are the applications of 8-ethoxy-1,3-dimethyl-2-(3-nitrophenyl)cyclohepta[c]pyrrol-4(2H)-one?

8-ethoxy-1,3-dimethyl-2-(3-nitrophenyl)cyclohepta[c]pyrrol-4(2H)-one is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full...

Where can I buy 8-ethoxy-1,3-dimethyl-2-(3-nitrophenyl)cyclohepta[c]pyrrol-4(2H)-one?

You can request a quote for 8-ethoxy-1,3-dimethyl-2-(3-nitrophenyl)cyclohepta[c]pyrrol-4(2H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 8-ethoxy-1,3-dimethyl-2-(3-nitrophenyl)cyclohepta[c]pyrrol-4(2H)-one?

Yes, CoreyChem provides custom synthesis services for 8-ethoxy-1,3-dimethyl-2-(3-nitrophenyl)cyclohepta[c]pyrrol-4(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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