TL;DR: RefChem:314497 (CAS 15621-34-8) is a chemical compound with molecular formula C17H27ClN2O3 and molecular weight 342.17102 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(dibutylamino)-N-(4-hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl)acetamide;hydrochloride
Also Known As: Acetamide, 2-(dibutylamino)-N-(4-hydroxy-5-oxo-1,3,6-cycloheptatrien-1-yl)-, monohydrochloride, 2-(Dibutylamino)-N-(4-hydroxy-5-oxo-1,3,6-cycloheptatrien-1-yl)acetamide hydrochloride, 2-(dibutylamino)-N-(4-hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl)acetamide hydrochloride, N~2~,N~2~-Dibutyl-N-(4-hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl)glycinamide--hydrogen chloride (1/1)
| Molecular Formula | C17H27ClN2O3 |
| Molecular Weight | 342.17102 g/mol |
| XLogP | 3.0149 |
| Topological Polar Surface Area (TPSA) | 69.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 342.17102 Da |
| Heavy Atoms | 23 |
| Complexity | 470.0 |
| SMILES | CCCCN(CCCC)CC(=O)NC1=CC=C(C(=O)C=C1)O.Cl |
| InChIKey | HJSMXHCZFMSMGZ-UHFFFAOYSA-N |
The XLogP value of 3.0149 indicates that RefChem:314497 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:314497. Following Lipinski's Rule of Five, RefChem:314497 has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of RefChem:314497 is 15621-34-8.
The molecular formula of RefChem:314497 is C17H27ClN2O3.
The molecular weight of RefChem:314497 is 342.17102 g/mol.
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