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3-(2-((4-ethoxyphenyl)amino)thiazol-4-yl)-3,8-dimethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione structure
Fine Chemical

3-(2-((4-ethoxyphenyl)amino)thiazol-4-yl)-3,8-dimethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione

TL;DR: 3-(2-((4-ethoxyphenyl)amino)thiazol-4-yl)-3,8-dimethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione (CAS 1005117-54-3) is a chemical compound with molecular formula C20H22N2O5S and molecular weight 402.12494 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

3-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]-3,8-dimethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione

Also Known As: 3-(2-((4-ethoxyphenyl)amino)thiazol-4-yl)-3,8-dimethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione, 3-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]-3,8-dimethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione, 3-{(2E)-2-[(4-ethoxyphenyl)imino]-2,3-dihydro-1,3-thiazol-4-yl}-3,8-dimethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione, 7-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]-2,7-dimethyl-3,8-dioxaspiro[4.4]nonane-4,9-dione

CAS Number
1005117-54-3
Molecular Formula
C20H22N2O5S
Molecular Weight
402.12494 g/mol
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Technical Specifications

Molecular FormulaC20H22N2O5S
Molecular Weight402.12494 g/mol
XLogP3.7
Topological Polar Surface Area (TPSA)115.0 Ų
Hydrogen Bond Donors1
Hydrogen Bond Acceptors8
Rotatable Bonds5
Exact Mass402.12494 Da
Heavy Atoms28
Complexity626.0
SMILESCCOC1=CC=C(C=C1)NC2=NC(=CS2)C3(CC4(CC(OC4=O)C)C(=O)O3)C
InChIKeyWRSQOWMVQOLIQH-UHFFFAOYSA-N

Chemical Property Profile of 3-(2-((4-ethoxyphenyl)amino)thiazol-4-yl)-3,8-dimethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione

XLogP
3.7
TPSA (Topological Polar Surface Area)
115.0
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
8
Rotatable Bonds
5
Heavy Atoms
28
Complexity
626.0
Exact Mass
402.12494
Monoisotopic Mass
402.12494
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 3-(2-((4-ethoxyphenyl)amino)thiazol-4-yl)-3,8-dimethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione

The XLogP value of 3.7 indicates that 3-(2-((4-ethoxyphenyl)amino)thiazol-4-yl)-3,8-dimethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-((4-ethoxyphenyl)amino)thiazol-4-yl)-3,8-dimethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione. Following Lipinski's Rule of Five, 3-(2-((4-ethoxyphenyl)amino)thiazol-4-yl)-3,8-dimethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of 3-(2-((4-ethoxyphenyl)amino)thiazol-4-yl)-3,8-dimethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione?

The CAS number of 3-(2-((4-ethoxyphenyl)amino)thiazol-4-yl)-3,8-dimethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione is 1005117-54-3.

What is the molecular formula of 3-(2-((4-ethoxyphenyl)amino)thiazol-4-yl)-3,8-dimethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione?

The molecular formula of 3-(2-((4-ethoxyphenyl)amino)thiazol-4-yl)-3,8-dimethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione is C20H22N2O5S.

What is the molecular weight of 3-(2-((4-ethoxyphenyl)amino)thiazol-4-yl)-3,8-dimethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione?

The molecular weight of 3-(2-((4-ethoxyphenyl)amino)thiazol-4-yl)-3,8-dimethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione is 402.12494 g/mol.

Where can I buy 3-(2-((4-ethoxyphenyl)amino)thiazol-4-yl)-3,8-dimethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione?

You can request a quote for 3-(2-((4-ethoxyphenyl)amino)thiazol-4-yl)-3,8-dimethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 3-(2-((4-ethoxyphenyl)amino)thiazol-4-yl)-3,8-dimethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione?

Yes, CoreyChem provides custom synthesis services for 3-(2-((4-ethoxyphenyl)amino)thiazol-4-yl)-3,8-dimethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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