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2-[2-(Cyclohexen-1-yl)ethylamino]-4-(2,5-dimethoxyanilino)-4-oxobutanoic acid structure
Fine Chemical

2-[2-(Cyclohexen-1-yl)ethylamino]-4-(2,5-dimethoxyanilino)-4-oxobutanoic acid

TL;DR: 2-[2-(Cyclohexen-1-yl)ethylamino]-4-(2,5-dimethoxyanilino)-4-oxobutanoic acid (CAS 1025759-31-2) is a chemical compound with molecular formula C20H28N2O5 and molecular weight 376.19983 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

2-[2-(cyclohexen-1-yl)ethylamino]-4-(2,5-dimethoxyanilino)-4-oxobutanoic acid

Also Known As: 2-[2-(cyclohexen-1-yl)ethylamino]-4-(2,5-dimethoxyanilino)-4-oxobutanoic acid, F1124-0024, 2-((2-(cyclohex-1-en-1-yl)ethyl)amino)-4-((2,5-dimethoxyphenyl)amino)-4-oxobutanoic acid, 2-{[2-(CYCLOHEX-1-EN-1-YL)ETHYL]AMINO}-3-[(2,5-DIMETHOXYPHENYL)CARBAMOYL]PROPANOIC ACID, N~2~-[2-(1-cyclohexen-1-yl)ethyl]-N~4~-(2,5-dimethoxyphenyl)asparagine

CAS Number
1025759-31-2
Molecular Formula
C20H28N2O5
Molecular Weight
376.19983 g/mol
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Technical Specifications

Molecular FormulaC20H28N2O5
Molecular Weight376.19983 g/mol
XLogP0.5
Topological Polar Surface Area (TPSA)96.9 Ų
Hydrogen Bond Donors3
Hydrogen Bond Acceptors6
Rotatable Bonds10
Exact Mass376.19983 Da
Heavy Atoms27
Complexity523.0
SMILESCOC1=CC(=C(C=C1)OC)NC(=O)CC(C(=O)O)NCCC2=CCCCC2
InChIKeyAFTBUXCWKWDELU-UHFFFAOYSA-N

Chemical Property Profile of 2-[2-(Cyclohexen-1-yl)ethylamino]-4-(2,5-dimethoxyanilino)-4-oxobutanoic acid

XLogP
0.5
TPSA (Topological Polar Surface Area)
96.9
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
6
Rotatable Bonds
10
Heavy Atoms
27
Complexity
523.0
Exact Mass
376.19983
Monoisotopic Mass
376.19983
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 2-[2-(Cyclohexen-1-yl)ethylamino]-4-(2,5-dimethoxyanilino)-4-oxobutanoic acid

The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[2-(Cyclohexen-1-yl)ethylamino]-4-(2,5-dimethoxyanilino)-4-oxobutanoic acid. The TPSA of 96.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-(Cyclohexen-1-yl)ethylamino]-4-(2,5-dimethoxyanilino)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 2-[2-(Cyclohexen-1-yl)ethylamino]-4-(2,5-dimethoxyanilino)-4-oxobutanoic acid has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of 2-[2-(Cyclohexen-1-yl)ethylamino]-4-(2,5-dimethoxyanilino)-4-oxobutanoic acid?

The CAS number of 2-[2-(Cyclohexen-1-yl)ethylamino]-4-(2,5-dimethoxyanilino)-4-oxobutanoic acid is 1025759-31-2.

What is the molecular formula of 2-[2-(Cyclohexen-1-yl)ethylamino]-4-(2,5-dimethoxyanilino)-4-oxobutanoic acid?

The molecular formula of 2-[2-(Cyclohexen-1-yl)ethylamino]-4-(2,5-dimethoxyanilino)-4-oxobutanoic acid is C20H28N2O5.

What is the molecular weight of 2-[2-(Cyclohexen-1-yl)ethylamino]-4-(2,5-dimethoxyanilino)-4-oxobutanoic acid?

The molecular weight of 2-[2-(Cyclohexen-1-yl)ethylamino]-4-(2,5-dimethoxyanilino)-4-oxobutanoic acid is 376.19983 g/mol.

Where can I buy 2-[2-(Cyclohexen-1-yl)ethylamino]-4-(2,5-dimethoxyanilino)-4-oxobutanoic acid?

You can request a quote for 2-[2-(Cyclohexen-1-yl)ethylamino]-4-(2,5-dimethoxyanilino)-4-oxobutanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 2-[2-(Cyclohexen-1-yl)ethylamino]-4-(2,5-dimethoxyanilino)-4-oxobutanoic acid?

Yes, CoreyChem provides custom synthesis services for 2-[2-(Cyclohexen-1-yl)ethylamino]-4-(2,5-dimethoxyanilino)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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