TL;DR: RefChem:219903 (CAS 116989-39-0) is a chemical compound with molecular formula C14H29ClN2O5 and molecular weight 340.1765 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butan-1-one;hydrochloride
Also Known As: 1,4,7,10-Tetraoxa-13-azacyclopentadecane, 13-(4-amino-1-oxobutyl)-, monohydrochloride, 13-(4-Amino-1-oxobutyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane monohydrochloride, 4-amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butan-1-one hydrochloride, 4-Amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)butan-1-one--hydrogen chloride (1/1)
| Molecular Formula | C14H29ClN2O5 |
| Molecular Weight | 340.1765 g/mol |
| XLogP | 0.0557 |
| Topological Polar Surface Area (TPSA) | 83.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 340.1765 Da |
| Heavy Atoms | 22 |
| Complexity | 250.0 |
| SMILES | C1COCCOCCOCCOCCN1C(=O)CCCN.Cl |
| InChIKey | RWTWMCJLMZQKPO-UHFFFAOYSA-N |
The XLogP value of 0.0557 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:219903. The TPSA of 83.3 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:219903. Following Lipinski's Rule of Five, RefChem:219903 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of RefChem:219903 is 116989-39-0.
The molecular formula of RefChem:219903 is C14H29ClN2O5.
The molecular weight of RefChem:219903 is 340.1765 g/mol.
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