TL;DR: RefChem:379806 (CAS 14028-24-1) is a chemical compound with molecular formula C19H31Cl2N3O5 and molecular weight 451.16406 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(diethylamino)ethyl 2-hydroxy-4-[(2-morpholin-4-ylacetyl)amino]benzoate;dihydrochloride
Also Known As: Salicylic acid, 4-(2-morpholinoacetamido)-, 2-diethylaminoethyl ester, dihydrochloride, 2-(Diethylaminoethyl) 4-(2-morpholinoacetylamino)salicylate, dihydrochloride, 2-diethylaminoethyl 2-hydroxy-4-[(2-morpholin-4-ylacetyl)amino]benzoate dihydrochloride, Salicylic acid, 4-(2-morpholinoacetamido)-, 2-(diethylamino)ethyl ester, dihydrochloride, 2-(Diethylamino)ethyl 2-hydroxy-4-[2-(morpholin-4-yl)acetamido]benzoate--hydrogen chloride (1/2)
| Molecular Formula | C19H31Cl2N3O5 |
| Molecular Weight | 451.16406 g/mol |
| XLogP | 2.0051 |
| Topological Polar Surface Area (TPSA) | 91.3 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 451.16406 Da |
| Heavy Atoms | 29 |
| Complexity | 466.0 |
| SMILES | CCN(CC)CCOC(=O)C1=C(C=C(C=C1)NC(=O)CN2CCOCC2)O.Cl.Cl |
| InChIKey | BTYRKPWOPZJYSM-UHFFFAOYSA-N |
The XLogP value of 2.0051 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:379806. The TPSA of 91.3 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:379806. Following Lipinski's Rule of Five, RefChem:379806 has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of RefChem:379806 is 14028-24-1.
The molecular formula of RefChem:379806 is C19H31Cl2N3O5.
The molecular weight of RefChem:379806 is 451.16406 g/mol.
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