TL;DR: [2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2,3-dimethoxybenzoate (CAS 1002543-31-8) is a chemical compound with molecular formula C19H25NO5 and molecular weight 347.17328 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2,3-dimethoxybenzoate
Also Known As: [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2,3-dimethoxybenzoate|F6609-3491|{[2-(CYCLOHEX-1-EN-1-YL)ETHYL]CARBAMOYL}METHYL 2,3-DIMETHOXYBENZOATE|2-((2-(cyclohex-1-en-1-yl)ethyl)amino)-2-oxoethyl 2,3-dimethoxybenzoate|2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl 2,3-dimethoxybenzoate|STL194688
| Molecular Formula | C19H25NO5 |
| Molecular Weight | 347.17328 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 73.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 347.17328 Da |
| Heavy Atoms | 25 |
| Complexity | 476.0 |
| SMILES | COC1=CC=CC(=C1OC)C(=O)OCC(=O)NCCC2=CCCCC2 |
| InChIKey | MRCDRARIDMAUOB-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that [2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2,3-dimethoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.9 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2,3-dimethoxybenzoate. Following Lipinski's Rule of Five, [2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2,3-dimethoxybenzoate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of [2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2,3-dimethoxybenzoate is 1002543-31-8.
The molecular formula of [2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2,3-dimethoxybenzoate is C19H25NO5.
The molecular weight of [2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2,3-dimethoxybenzoate is 347.17328 g/mol.
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