![2-[2-(Cyclohexen-1-yl)ethylamino]-4-(2,4-dimethylanilino)-4-oxobutanoic acid structure](/static/products/102/1027608-58-7.png)
2-[2-(Cyclohexen-1-yl)ethylamino]-4-(2,4-dimethylanilino)-4-oxobutanoic acid
TL;DR: 2-[2-(Cyclohexen-1-yl)ethylamino]-4-(2,4-dimethylanilino)-4-oxobutanoic acid (CAS 1027608-58-7) is a chemical compound with molecular formula C20H28N2O3 and molecular weight 344.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(cyclohexen-1-yl)ethylamino]-4-(2,4-dimethylanilino)-4-oxobutanoic acid
Also Known As: IFLab1_005192, 2-[2-(cyclohexen-1-yl)ethylamino]-4-(2,4-dimethylanilino)-4-oxobutanoic acid, F1278-0497, 2-((2-(cyclohex-1-en-1-yl)ethyl)amino)-4-((2,4-dimethylphenyl)amino)-4-oxobutanoic acid, 2-[2-(1-cyclohexen-1-yl)ethylamino]-3-(N-2,4-xylylcarbamoyl)propionic acid
| Molecular Formula | C20H28N2O3 |
|---|---|
| Molecular Weight | 344.21 g/mol |
| LogP | 3.56534 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 344.21 |
| Heavy Atoms | 25 |
| Complexity | 652.3414 |
Chemical Identifiers
| CAS Number | 1027608-58-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC(=O)CC(C(=O)O)NCCC2=CCCCC2)C |
Product Overview
2-[2-(Cyclohexen-1-yl)ethylamino]-4-(2,4-dimethylanilino)-4-oxobutanoic acid (CAS 1027608-58-7), with molecular formula C20H28N2O3 and molecular weight 344.21 g/mol. IUPAC: 2-[2-(cyclohexen-1-yl)ethylamino]-4-(2,4-dimethylanilino)-4-oxobutanoic acid.
Chemical Property Profile of 2-[2-(Cyclohexen-1-yl)ethylamino]-4-(2,4-dimethylanilino)-4-oxobutanoic acid
Property Insights of 2-[2-(Cyclohexen-1-yl)ethylamino]-4-(2,4-dimethylanilino)-4-oxobutanoic acid
The XLogP value of 3.56534 indicates that 2-[2-(Cyclohexen-1-yl)ethylamino]-4-(2,4-dimethylanilino)-4-oxobutanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-(Cyclohexen-1-yl)ethylamino]-4-(2,4-dimethylanilino)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 2-[2-(Cyclohexen-1-yl)ethylamino]-4-(2,4-dimethylanilino)-4-oxobutanoic acid has 3 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 2-[2-(Cyclohexen-1-yl)ethylamino]-4-(2,4-dimethylanilino)-4-oxobutanoic acid?
The CAS number of 2-[2-(Cyclohexen-1-yl)ethylamino]-4-(2,4-dimethylanilino)-4-oxobutanoic acid is 1027608-58-7.
What is the molecular formula of 2-[2-(Cyclohexen-1-yl)ethylamino]-4-(2,4-dimethylanilino)-4-oxobutanoic acid?
The molecular formula of 2-[2-(Cyclohexen-1-yl)ethylamino]-4-(2,4-dimethylanilino)-4-oxobutanoic acid is C20H28N2O3.
What is the molecular weight of 2-[2-(Cyclohexen-1-yl)ethylamino]-4-(2,4-dimethylanilino)-4-oxobutanoic acid?
The molecular weight of 2-[2-(Cyclohexen-1-yl)ethylamino]-4-(2,4-dimethylanilino)-4-oxobutanoic acid is 344.21 g/mol.
Where can I buy 2-[2-(Cyclohexen-1-yl)ethylamino]-4-(2,4-dimethylanilino)-4-oxobutanoic acid?
You can request a quote for 2-[2-(Cyclohexen-1-yl)ethylamino]-4-(2,4-dimethylanilino)-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2-(Cyclohexen-1-yl)ethylamino]-4-(2,4-dimethylanilino)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(Cyclohexen-1-yl)ethylamino]-4-(2,4-dimethylanilino)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.